2-(2-phenylethyl)-1,3-benzoxazol-5-amine

C15H14N2O — CID 765854

IUPAC2-(2-phenylethyl)-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(CCc3ccccc3)nc2c1
InChIInChI=1S/C15H14N2O/c16-12-7-8-14-13(10-12)17-15(18-14)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9,16H2
InChIKeyJYDYEDVFQNITAL-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.20
Rot. Bonds3

About 2-(2-phenylethyl)-1,3-benzoxazol-5-amine

2-(2-phenylethyl)-1,3-benzoxazol-5-amine (PubChem CID 765854) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(2-phenylethyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(2-phenylethyl)-1,3-benzoxazol-5-amine
PubChem CID765854
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-(2-phenylethyl)-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(CCc3ccccc3)nc2c1
InChIInChI=1S/C15H14N2O/c16-12-7-8-14-13(10-12)17-15(18-14)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9,16H2
InChIKeyJYDYEDVFQNITAL-UHFFFAOYSA-N
XLogP3.20
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(2-phenylethyl)-1,3-benzoxazol-5-amine (CID 765854) is 2-(2-phenylethyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(2-phenylethyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(2-phenylethyl)-1,3-benzoxazol-5-amine is Nc1ccc2oc(CCc3ccccc3)nc2c1.
What is the InChIKey of 2-(2-phenylethyl)-1,3-benzoxazol-5-amine?
The InChIKey is JYDYEDVFQNITAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c16-12-7-8-14-13(10-12)17-15(18-14)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9,16H2.
What are the key properties of 2-(2-phenylethyl)-1,3-benzoxazol-5-amine?
2-(2-phenylethyl)-1,3-benzoxazol-5-amine has a molecular weight of 238.29 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 765854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).