(R)-5-(Chloromethyl)-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-one

Introduction

CAS No. :	496031-57-3	MDL No. :	MFCD22683177
Formula :	C14H16ClFN2O3	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	IZNZPAMEUUTJRA-NSHDSACASA-N
M.W :	314.74	Pubchem ID :	46176945
Synonyms :

Physicochemical Properties

Num. heavy atoms :	21
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.5
Num. rotatable bonds :	3
Num. H-bond acceptors :	4.0
Num. H-bond donors :	0.0
Molar Refractivity :	83.24
TPSA :	42.01 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.82 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.48
Log Po/w (XLOGP3) :	1.97
Log Po/w (WLOGP) :	1.88
Log Po/w (MLOGP) :	2.03
Log Po/w (SILICOS-IT) :	2.27
Consensus Log Po/w :	2.13

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.05
Solubility :	0.283 mg/ml ; 0.0009 mol/l
Class :	Soluble
Log S (Ali) :	-2.48
Solubility :	1.05 mg/ml ; 0.00333 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.43
Solubility :	0.117 mg/ml ; 0.000372 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	1.0 alert
Brenk :	1.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	3.2

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:

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