(R)-4-Methyloxazolidin-2-one

Introduction

CAS No. :	4042-43-7	MDL No. :	MFCD06656588
Formula :	C4H7NO2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	VAJFEOKPKHIPEN-GSVOUGTGSA-N
M.W :	101.10	Pubchem ID :	2734858
Synonyms :

Physicochemical Properties

Num. heavy atoms :	7
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.75
Num. rotatable bonds :	0
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	27.62
TPSA :	38.33 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) :	-6.81 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.08
Log Po/w (XLOGP3) :	0.15
Log Po/w (WLOGP) :	-0.27
Log Po/w (MLOGP) :	-0.38
Log Po/w (SILICOS-IT) :	0.52
Consensus Log Po/w :	0.22

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.56
Solubility :	27.8 mg/ml ; 0.275 mol/l
Class :	Very soluble
Log S (Ali) :	-0.51
Solubility :	31.1 mg/ml ; 0.308 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.47
Solubility :	34.3 mg/ml ; 0.339 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.88

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H317-H319	Packing Group:	N/A
GHS Pictogram:

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