1,3,4-Oxadiazol-2-amine

Introduction

CAS No. :	3775-60-8	MDL No. :	MFCD17677516
Formula :	C2H3N3O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	APKZPKINPXTSNL-UHFFFAOYSA-N
M.W :	85.06	Pubchem ID :	239787
Synonyms :		Chemical Name :	1,3,4-Oxadiazol-2-amine

Physicochemical Properties

Num. heavy atoms :	6
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	18.7
TPSA :	64.94 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) :	-7.84 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.63
Log Po/w (XLOGP3) :	-1.44
Log Po/w (WLOGP) :	-0.34
Log Po/w (MLOGP) :	-1.28
Log Po/w (SILICOS-IT) :	0.36
Consensus Log Po/w :	-0.41

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.08
Solubility :	71.3 mg/ml ; 0.838 mol/l
Class :	Very soluble
Log S (Ali) :	0.58
Solubility :	323.0 mg/ml ; 3.8 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	-0.4
Solubility :	33.9 mg/ml ; 0.399 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.05

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:

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