2-naphthalen-1-yl-1,3-benzoxazol-5-amine

C17H12N2O — CID 650480

IUPAC2-naphthalen-1-yl-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(-c3cccc4ccccc34)nc2c1
InChIInChI=1S/C17H12N2O/c18-12-8-9-16-15(10-12)19-17(20-16)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,18H2
InChIKeyNCQQMVULPNMPEH-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.23
Rot. Bonds1

About 2-naphthalen-1-yl-1,3-benzoxazol-5-amine

2-naphthalen-1-yl-1,3-benzoxazol-5-amine (PubChem CID 650480) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-naphthalen-1-yl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-naphthalen-1-yl-1,3-benzoxazol-5-amine
PubChem CID650480
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name2-naphthalen-1-yl-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(-c3cccc4ccccc34)nc2c1
InChIInChI=1S/C17H12N2O/c18-12-8-9-16-15(10-12)19-17(20-16)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,18H2
InChIKeyNCQQMVULPNMPEH-UHFFFAOYSA-N
XLogP4.23
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.23
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-naphthalen-1-yl-1,3-benzoxazol-5-amine?
The IUPAC name of 2-naphthalen-1-yl-1,3-benzoxazol-5-amine (CID 650480) is 2-naphthalen-1-yl-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-naphthalen-1-yl-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-naphthalen-1-yl-1,3-benzoxazol-5-amine is Nc1ccc2oc(-c3cccc4ccccc34)nc2c1.
What is the InChIKey of 2-naphthalen-1-yl-1,3-benzoxazol-5-amine?
The InChIKey is NCQQMVULPNMPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c18-12-8-9-16-15(10-12)19-17(20-16)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,18H2.
What are the key properties of 2-naphthalen-1-yl-1,3-benzoxazol-5-amine?
2-naphthalen-1-yl-1,3-benzoxazol-5-amine has a molecular weight of 260.30 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 650480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).