2-Aminooxazol-4(5H)-one

Introduction

CAS No. :	17816-85-2	MDL No. :	MFCD00807941
Formula :	C3H4N2O2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	KVUPQEKUVSNRCD-UHFFFAOYSA-N
M.W :	100.08	Pubchem ID :	437570
Synonyms :

Physicochemical Properties

Num. heavy atoms :	7
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.33
Num. rotatable bonds :	0
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	25.42
TPSA :	64.68 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) :	-7.47 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.51
Log Po/w (XLOGP3) :	-0.79
Log Po/w (WLOGP) :	-1.52
Log Po/w (MLOGP) :	-0.98
Log Po/w (SILICOS-IT) :	0.63
Consensus Log Po/w :	-0.43

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	0.04
Solubility :	109.0 mg/ml ; 1.09 mol/l
Class :	Highly soluble
Log S (Ali) :	-0.09
Solubility :	81.4 mg/ml ; 0.813 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	0.07
Solubility :	116.0 mg/ml ; 1.16 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.91

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:
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