5-(Morpholinomethyl)-3-(((5-nitrofuran-2-yl)methylene)amino)oxazolidin-2-one hydrochloride

Introduction

CAS No. :	3759-92-0	MDL No. :	MFCD00058201
Formula :	C13H17ClN4O6	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	360.75	Pubchem ID :	-
Synonyms :	Altafur hydrochloride;Furaltadone HCl	Chemical Name :	5-(Morpholinomethyl)-3-(((5-nitrofuran-2-yl)methylene)amino)oxazolidin-2-one hydrochloride

Physicochemical Properties

Num. heavy atoms :	24
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.54
Num. rotatable bonds :	5
Num. H-bond acceptors :	8.0
Num. H-bond donors :	0.0
Molar Refractivity :	93.75
TPSA :	113.33 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.34 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	1.63
Log Po/w (WLOGP) :	0.72
Log Po/w (MLOGP) :	-0.05
Log Po/w (SILICOS-IT) :	-1.17
Consensus Log Po/w :	0.23

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.93
Solubility :	0.426 mg/ml ; 0.00118 mol/l
Class :	Soluble
Log S (Ali) :	-3.62
Solubility :	0.086 mg/ml ; 0.000238 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.22
Solubility :	21.9 mg/ml ; 0.0607 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	3.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	4.08

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine