4-(4-pyridin-3-ylphenyl)-1,3-benzoxazole

C18H12N2O — CID 150971270

IUPAC4-(4-pyridin-3-ylphenyl)-1,3-benzoxazole
SMILESc1cncc(-c2ccc(-c3cccc4ocnc34)cc2)c1
InChIInChI=1S/C18H12N2O/c1-4-16(18-17(5-1)21-12-20-18)14-8-6-13(7-9-14)15-3-2-10-19-11-15/h1-12H
InChIKeyLODWWJWLTGVVSO-UHFFFAOYSA-N
MW272.31 g/mol
LogP4.56
Rot. Bonds2

About 4-(4-pyridin-3-ylphenyl)-1,3-benzoxazole

4-(4-pyridin-3-ylphenyl)-1,3-benzoxazole (PubChem CID 150971270) has the molecular formula C18H12N2O and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-(4-pyridin-3-ylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name4-(4-pyridin-3-ylphenyl)-1,3-benzoxazole
PubChem CID150971270
Molecular FormulaC18H12N2O
Molecular Weight272.31 g/mol
Exact Mass272.09
IUPAC Name4-(4-pyridin-3-ylphenyl)-1,3-benzoxazole
SMILESc1cncc(-c2ccc(-c3cccc4ocnc34)cc2)c1
InChIInChI=1S/C18H12N2O/c1-4-16(18-17(5-1)21-12-20-18)14-8-6-13(7-9-14)15-3-2-10-19-11-15/h1-12H
InChIKeyLODWWJWLTGVVSO-UHFFFAOYSA-N
XLogP4.56
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-pyridin-3-ylphenyl)-1,3-benzoxazole?
The IUPAC name of 4-(4-pyridin-3-ylphenyl)-1,3-benzoxazole (CID 150971270) is 4-(4-pyridin-3-ylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 4-(4-pyridin-3-ylphenyl)-1,3-benzoxazole?
The canonical SMILES for 4-(4-pyridin-3-ylphenyl)-1,3-benzoxazole is c1cncc(-c2ccc(-c3cccc4ocnc34)cc2)c1.
What is the InChIKey of 4-(4-pyridin-3-ylphenyl)-1,3-benzoxazole?
The InChIKey is LODWWJWLTGVVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O/c1-4-16(18-17(5-1)21-12-20-18)14-8-6-13(7-9-14)15-3-2-10-19-11-15/h1-12H.
What are the key properties of 4-(4-pyridin-3-ylphenyl)-1,3-benzoxazole?
4-(4-pyridin-3-ylphenyl)-1,3-benzoxazole has a molecular weight of 272.31 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyridin-3-ylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 150971270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).