(R)-3-(3-Fluorophenyl)-5-(hydroxymethyl)oxazolidin-2-one

Introduction

CAS No. :	149524-42-5	MDL No. :	MFCD08234640
Formula :	C10H10FNO3	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	XYUGDJIYKLSISX-SECBINFHSA-N
M.W :	211.19	Pubchem ID :	11229590
Synonyms :

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.3
Num. rotatable bonds :	2
Num. H-bond acceptors :	4.0
Num. H-bond donors :	1.0
Molar Refractivity :	53.88
TPSA :	49.77 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.92 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.61
Log Po/w (XLOGP3) :	0.94
Log Po/w (WLOGP) :	1.18
Log Po/w (MLOGP) :	1.25
Log Po/w (SILICOS-IT) :	1.22
Consensus Log Po/w :	1.24

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.91
Solubility :	2.62 mg/ml ; 0.0124 mol/l
Class :	Very soluble
Log S (Ali) :	-1.57
Solubility :	5.66 mg/ml ; 0.0268 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.08
Solubility :	1.76 mg/ml ; 0.00836 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.59

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

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