(5,7-dimethyl-1,3-benzoxazol-2-yl)methanamine

C10H12N2O — CID 79001891

IUPAC(5,7-dimethyl-1,3-benzoxazol-2-yl)methanamine
SMILESCc1cc(C)c2oc(CN)nc2c1
InChIInChI=1S/C10H12N2O/c1-6-3-7(2)10-8(4-6)12-9(5-11)13-10/h3-4H,5,11H2,1-2H3
InChIKeyCMOJTDUWPJOXBA-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.90
Rot. Bonds1

About (5,7-dimethyl-1,3-benzoxazol-2-yl)methanamine

(5,7-dimethyl-1,3-benzoxazol-2-yl)methanamine (PubChem CID 79001891) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (5,7-dimethyl-1,3-benzoxazol-2-yl)methanamine.

Molecular Properties

Compound Name(5,7-dimethyl-1,3-benzoxazol-2-yl)methanamine
PubChem CID79001891
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(5,7-dimethyl-1,3-benzoxazol-2-yl)methanamine
SMILESCc1cc(C)c2oc(CN)nc2c1
InChIInChI=1S/C10H12N2O/c1-6-3-7(2)10-8(4-6)12-9(5-11)13-10/h3-4H,5,11H2,1-2H3
InChIKeyCMOJTDUWPJOXBA-UHFFFAOYSA-N
XLogP1.90
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5,7-dimethyl-1,3-benzoxazol-2-yl)methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5,7-dimethyl-1,3-benzoxazol-2-yl)methanamine?
The IUPAC name of (5,7-dimethyl-1,3-benzoxazol-2-yl)methanamine (CID 79001891) is (5,7-dimethyl-1,3-benzoxazol-2-yl)methanamine.
What is the SMILES notation for (5,7-dimethyl-1,3-benzoxazol-2-yl)methanamine?
The canonical SMILES for (5,7-dimethyl-1,3-benzoxazol-2-yl)methanamine is Cc1cc(C)c2oc(CN)nc2c1.
What is the InChIKey of (5,7-dimethyl-1,3-benzoxazol-2-yl)methanamine?
The InChIKey is CMOJTDUWPJOXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-6-3-7(2)10-8(4-6)12-9(5-11)13-10/h3-4H,5,11H2,1-2H3.
What are the key properties of (5,7-dimethyl-1,3-benzoxazol-2-yl)methanamine?
(5,7-dimethyl-1,3-benzoxazol-2-yl)methanamine has a molecular weight of 176.22 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethyl-1,3-benzoxazol-2-yl)methanamine is sourced from PubChem (CID 79001891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).