[2-(1,2-benzoxazol-3-yl)phenyl]methanamine

C14H12N2O — CID 18357457

IUPAC[2-(1,2-benzoxazol-3-yl)phenyl]methanamine
SMILESNCc1ccccc1-c1noc2ccccc12
InChIInChI=1S/C14H12N2O/c15-9-10-5-1-2-6-11(10)14-12-7-3-4-8-13(12)17-16-14/h1-8H,9,15H2
InChIKeyKYWWWBAUGDMAJT-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.95
Rot. Bonds2

About [2-(1,2-benzoxazol-3-yl)phenyl]methanamine

[2-(1,2-benzoxazol-3-yl)phenyl]methanamine (PubChem CID 18357457) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is [2-(1,2-benzoxazol-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(1,2-benzoxazol-3-yl)phenyl]methanamine
PubChem CID18357457
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name[2-(1,2-benzoxazol-3-yl)phenyl]methanamine
SMILESNCc1ccccc1-c1noc2ccccc12
InChIInChI=1S/C14H12N2O/c15-9-10-5-1-2-6-11(10)14-12-7-3-4-8-13(12)17-16-14/h1-8H,9,15H2
InChIKeyKYWWWBAUGDMAJT-UHFFFAOYSA-N
XLogP2.95
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1,2-benzoxazol-3-yl)phenyl]methanamine?
The IUPAC name of [2-(1,2-benzoxazol-3-yl)phenyl]methanamine (CID 18357457) is [2-(1,2-benzoxazol-3-yl)phenyl]methanamine.
What is the SMILES notation for [2-(1,2-benzoxazol-3-yl)phenyl]methanamine?
The canonical SMILES for [2-(1,2-benzoxazol-3-yl)phenyl]methanamine is NCc1ccccc1-c1noc2ccccc12.
What is the InChIKey of [2-(1,2-benzoxazol-3-yl)phenyl]methanamine?
The InChIKey is KYWWWBAUGDMAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c15-9-10-5-1-2-6-11(10)14-12-7-3-4-8-13(12)17-16-14/h1-8H,9,15H2.
What are the key properties of [2-(1,2-benzoxazol-3-yl)phenyl]methanamine?
[2-(1,2-benzoxazol-3-yl)phenyl]methanamine has a molecular weight of 224.26 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,2-benzoxazol-3-yl)phenyl]methanamine is sourced from PubChem (CID 18357457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).