3-ethyl-N-methyl-1,2-benzoxazol-5-amine

C10H12N2O — CID 166648258

IUPAC3-ethyl-N-methyl-1,2-benzoxazol-5-amine
SMILESCCc1noc2ccc(NC)cc12
InChIInChI=1S/C10H12N2O/c1-3-9-8-6-7(11-2)4-5-10(8)13-12-9/h4-6,11H,3H2,1-2H3
InChIKeyKSUPHYBNLWVFFZ-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.43
Rot. Bonds2

About 3-ethyl-N-methyl-1,2-benzoxazol-5-amine

3-ethyl-N-methyl-1,2-benzoxazol-5-amine (PubChem CID 166648258) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-ethyl-N-methyl-1,2-benzoxazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-methyl-1,2-benzoxazol-5-amine
PubChem CID166648258
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3-ethyl-N-methyl-1,2-benzoxazol-5-amine
SMILESCCc1noc2ccc(NC)cc12
InChIInChI=1S/C10H12N2O/c1-3-9-8-6-7(11-2)4-5-10(8)13-12-9/h4-6,11H,3H2,1-2H3
InChIKeyKSUPHYBNLWVFFZ-UHFFFAOYSA-N
XLogP2.43
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-N-methyl-1,2-benzoxazol-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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-1,2-benzoxazol-5-amine?
The IUPAC name of 3-ethyl-N-methyl-1,2-benzoxazol-5-amine (CID 166648258) is 3-ethyl-N-methyl-1,2-benzoxazol-5-amine.
What is the SMILES notation for 3-ethyl-N-methyl-1,2-benzoxazol-5-amine?
The canonical SMILES for 3-ethyl-N-methyl-1,2-benzoxazol-5-amine is CCc1noc2ccc(NC)cc12.
What is the InChIKey of 3-ethyl-N-methyl-1,2-benzoxazol-5-amine?
The InChIKey is KSUPHYBNLWVFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-3-9-8-6-7(11-2)4-5-10(8)13-12-9/h4-6,11H,3H2,1-2H3.
What are the key properties of 3-ethyl-N-methyl-1,2-benzoxazol-5-amine?
3-ethyl-N-methyl-1,2-benzoxazol-5-amine has a molecular weight of 176.22 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-1,2-benzoxazol-5-amine is sourced from PubChem (CID 166648258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).