3-(2-methyl-1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine

C11H9N3O2 — CID 82492852

IUPAC3-(2-methyl-1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine
SMILESCc1nc2cc(-c3cc(N)on3)ccc2o1
InChIInChI=1S/C11H9N3O2/c1-6-13-9-4-7(2-3-10(9)15-6)8-5-11(12)16-14-8/h2-5H,12H2,1H3
InChIKeyZVQOOVIGWAJBBS-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.37
Rot. Bonds1

About 3-(2-methyl-1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine

3-(2-methyl-1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine (PubChem CID 82492852) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 3-(2-methyl-1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-methyl-1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine
PubChem CID82492852
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name3-(2-methyl-1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine
SMILESCc1nc2cc(-c3cc(N)on3)ccc2o1
InChIInChI=1S/C11H9N3O2/c1-6-13-9-4-7(2-3-10(9)15-6)8-5-11(12)16-14-8/h2-5H,12H2,1H3
InChIKeyZVQOOVIGWAJBBS-UHFFFAOYSA-N
XLogP2.37
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-methyl-1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methyl-1-benzofuran-5-yl)-1,2-oxazol-5-amine
CID 117305294
2-methyl-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
CID 53140993
2-amino-4-(2-methyl-1,3-benzoxazol-5-yl)phenol
CID 58946383
5-[2-(bromomethyl)-1,3-thiazol-4-yl]-2-methyl-1,3-benzoxazole
CID 116970349
3-(3-methylisoquinolin-7-yl)-1,2-oxazol-5-amine
CID 117323198
3-(2,3-dimethylbenzimidazol-5-yl)-1,2-oxazol-5-amine
CID 117328763
2-methyl-5-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
CID 53141075
N-methyl-4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-amine
CID 116900562
5-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole
CID 53140950
3-[4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-yl]propan-1-amine
CID 116898105
[2-(2-methyl-1,3-benzoxazol-5-yl)-1,3-thiazol-4-yl]hydrazine
CID 116892127
3-[3-(dimethylamino)-4-methylphenyl]-1,2-oxazol-5-amine
CID 115112364

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-methyl-1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine (CID 82492852) is 3-(2-methyl-1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-methyl-1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-methyl-1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine is Cc1nc2cc(-c3cc(N)on3)ccc2o1.
What is the InChIKey of 3-(2-methyl-1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine?
The InChIKey is ZVQOOVIGWAJBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-6-13-9-4-7(2-3-10(9)15-6)8-5-11(12)16-14-8/h2-5H,12H2,1H3.
What are the key properties of 3-(2-methyl-1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine?
3-(2-methyl-1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine has a molecular weight of 215.21 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 82492852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).