(R)-4-(Iodomethyl)oxazolidin-2-one

Introduction

CAS No. :	144542-46-1	MDL No. :	MFCD18382539
Formula :	C4H6INO2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	GSGUMEIFDXIUBW-VKHMYHEASA-N
M.W :	227.00	Pubchem ID :	69697295
Synonyms :

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.75
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	40.58
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) :	-7.05 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.17
Log Po/w (XLOGP3) :	0.89
Log Po/w (WLOGP) :	0.15
Log Po/w (MLOGP) :	0.41
Log Po/w (SILICOS-IT) :	1.36
Consensus Log Po/w :	0.79

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.74
Solubility :	4.11 mg/ml ; 0.0181 mol/l
Class :	Very soluble
Log S (Ali) :	-1.28
Solubility :	11.9 mg/ml ; 0.0525 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.52
Solubility :	6.81 mg/ml ; 0.03 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.4

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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