1368659-13-5 N-Methyl-4-(oxazol-2-yl)aniline

Introduction

CAS No. :	1368659-13-5	MDL No. :	N/A
Formula :	C10H10N2O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	LOWRUXVQYUJGLN-UHFFFAOYSA-N
M.W :	174.20	Pubchem ID :	82468133
Synonyms :

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	11
Fraction Csp3 :	0.1
Num. rotatable bonds :	2
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	51.24
TPSA :	38.06 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.96 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.07
Log Po/w (XLOGP3) :	1.98
Log Po/w (WLOGP) :	2.19
Log Po/w (MLOGP) :	1.02
Log Po/w (SILICOS-IT) :	2.1
Consensus Log Po/w :	1.87

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.66
Solubility :	0.38 mg/ml ; 0.00218 mol/l
Class :	Soluble
Log S (Ali) :	-2.41
Solubility :	0.685 mg/ml ; 0.00393 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.19
Solubility :	0.0112 mg/ml ; 0.0000646 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.91

Signal Word:	Warning	Class:
Precautionary Statements:	P280-P305+P351+P338	UN#:
Hazard Statements:	H302-H312-H315-H319	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