(4-methoxy-1,3-benzoxazol-7-yl)methanamine

C9H10N2O2 — CID 138489101

IUPAC(4-methoxy-1,3-benzoxazol-7-yl)methanamine
SMILESCOc1ccc(CN)c2ocnc12
InChIInChI=1S/C9H10N2O2/c1-12-7-3-2-6(4-10)9-8(7)11-5-13-9/h2-3,5H,4,10H2,1H3
InChIKeyHFUFFRMBQWGSAN-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.30
Rot. Bonds2

About (4-methoxy-1,3-benzoxazol-7-yl)methanamine

(4-methoxy-1,3-benzoxazol-7-yl)methanamine (PubChem CID 138489101) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is (4-methoxy-1,3-benzoxazol-7-yl)methanamine.

Molecular Properties

Compound Name(4-methoxy-1,3-benzoxazol-7-yl)methanamine
PubChem CID138489101
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name(4-methoxy-1,3-benzoxazol-7-yl)methanamine
SMILESCOc1ccc(CN)c2ocnc12
InChIInChI=1S/C9H10N2O2/c1-12-7-3-2-6(4-10)9-8(7)11-5-13-9/h2-3,5H,4,10H2,1H3
InChIKeyHFUFFRMBQWGSAN-UHFFFAOYSA-N
XLogP1.30
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-methoxy-1,3-benzoxazol-7-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 (4-methoxy-1,3-benzoxazol-7-yl)methanamine?
The IUPAC name of (4-methoxy-1,3-benzoxazol-7-yl)methanamine (CID 138489101) is (4-methoxy-1,3-benzoxazol-7-yl)methanamine.
What is the SMILES notation for (4-methoxy-1,3-benzoxazol-7-yl)methanamine?
The canonical SMILES for (4-methoxy-1,3-benzoxazol-7-yl)methanamine is COc1ccc(CN)c2ocnc12.
What is the InChIKey of (4-methoxy-1,3-benzoxazol-7-yl)methanamine?
The InChIKey is HFUFFRMBQWGSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-12-7-3-2-6(4-10)9-8(7)11-5-13-9/h2-3,5H,4,10H2,1H3.
What are the key properties of (4-methoxy-1,3-benzoxazol-7-yl)methanamine?
(4-methoxy-1,3-benzoxazol-7-yl)methanamine has a molecular weight of 178.19 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1,3-benzoxazol-7-yl)methanamine is sourced from PubChem (CID 138489101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).