2-(2-methoxyphenyl)-1,3-benzoxazol-6-amine

C14H12N2O2 — CID 28932063

IUPAC2-(2-methoxyphenyl)-1,3-benzoxazol-6-amine
SMILESCOc1ccccc1-c1nc2ccc(N)cc2o1
InChIInChI=1S/C14H12N2O2/c1-17-12-5-3-2-4-10(12)14-16-11-7-6-9(15)8-13(11)18-14/h2-8H,15H2,1H3
InChIKeyFKBCPTRYFOWZPB-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.09
Rot. Bonds2

About 2-(2-methoxyphenyl)-1,3-benzoxazol-6-amine

2-(2-methoxyphenyl)-1,3-benzoxazol-6-amine (PubChem CID 28932063) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1,3-benzoxazol-6-amine
PubChem CID28932063
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-(2-methoxyphenyl)-1,3-benzoxazol-6-amine
SMILESCOc1ccccc1-c1nc2ccc(N)cc2o1
InChIInChI=1S/C14H12N2O2/c1-17-12-5-3-2-4-10(12)14-16-11-7-6-9(15)8-13(11)18-14/h2-8H,15H2,1H3
InChIKeyFKBCPTRYFOWZPB-UHFFFAOYSA-N
XLogP3.09
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxyphenyl)-1,3-benzoxazol-6-amine?
The IUPAC name of 2-(2-methoxyphenyl)-1,3-benzoxazol-6-amine (CID 28932063) is 2-(2-methoxyphenyl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-(2-methoxyphenyl)-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-(2-methoxyphenyl)-1,3-benzoxazol-6-amine is COc1ccccc1-c1nc2ccc(N)cc2o1.
What is the InChIKey of 2-(2-methoxyphenyl)-1,3-benzoxazol-6-amine?
The InChIKey is FKBCPTRYFOWZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-17-12-5-3-2-4-10(12)14-16-11-7-6-9(15)8-13(11)18-14/h2-8H,15H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-1,3-benzoxazol-6-amine?
2-(2-methoxyphenyl)-1,3-benzoxazol-6-amine has a molecular weight of 240.26 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 28932063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).