(R)-5-(Hydroxymethyl)-3-methyloxazolidin-2-one

Introduction

CAS No. :	1315020-11-1	MDL No. :	MFCD08234637
Formula :	C5H9NO3	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	NOGODPXRSZBASZ-SCSAIBSYSA-N
M.W :	131.13	Pubchem ID :	55252549
Synonyms :

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.8
Num. rotatable bonds :	1
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	33.68
TPSA :	49.77 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.61 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.03
Log Po/w (XLOGP3) :	-0.72
Log Po/w (WLOGP) :	-0.95
Log Po/w (MLOGP) :	-0.82
Log Po/w (SILICOS-IT) :	-0.32
Consensus Log Po/w :	-0.36

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-0.13
Solubility :	96.4 mg/ml ; 0.736 mol/l
Class :	Very soluble
Log S (Ali) :	0.15
Solubility :	186.0 mg/ml ; 1.42 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.37
Solubility :	310.0 mg/ml ; 2.37 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.29

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362	UN#:	N/A
Hazard Statements:	H315-H319	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