2-(5-phenyl-2-pyridinyl)-1,3-benzoxazole

C18H12N2O — CID 169047262

IUPAC2-(5-phenyl-2-pyridinyl)-1,3-benzoxazole
SMILESc1ccc(-c2ccc(-c3nc4ccccc4o3)nc2)cc1
InChIInChI=1S/C18H12N2O/c1-2-6-13(7-3-1)14-10-11-16(19-12-14)18-20-15-8-4-5-9-17(15)21-18/h1-12H
InChIKeyVNNIVZJVVIWBNA-UHFFFAOYSA-N
MW272.31 g/mol
LogP4.56
Rot. Bonds2

About 2-(5-phenyl-2-pyridinyl)-1,3-benzoxazole

2-(5-phenyl-2-pyridinyl)-1,3-benzoxazole (PubChem CID 169047262) has the molecular formula C18H12N2O and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-(5-phenyl-2-pyridinyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(5-phenyl-2-pyridinyl)-1,3-benzoxazole
PubChem CID169047262
Molecular FormulaC18H12N2O
Molecular Weight272.31 g/mol
Exact Mass272.09
IUPAC Name2-(5-phenyl-2-pyridinyl)-1,3-benzoxazole
SMILESc1ccc(-c2ccc(-c3nc4ccccc4o3)nc2)cc1
InChIInChI=1S/C18H12N2O/c1-2-6-13(7-3-1)14-10-11-16(19-12-14)18-20-15-8-4-5-9-17(15)21-18/h1-12H
InChIKeyVNNIVZJVVIWBNA-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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Related Compounds

2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-1,3-benzoxazole
CID 70830037
2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole
CID 56943829
6-(1,3-benzoxazol-2-yl)pyridin-3-ol
CID 136776961
2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole
CID 19044929
2-(3,5-diphenylphenyl)-1,3-benzoxazole
CID 134237405
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 155402925
5-phenyl-2-pyridin-2-yl-1,3-benzoxazole
CID 132598032
4-[5-(N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-phenylanilino)-2-pyridinyl]benzonitrile
CID 169061597
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole
CID 651855
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 59707538
2-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681660

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyl-2-pyridinyl)-1,3-benzoxazole?
The IUPAC name of 2-(5-phenyl-2-pyridinyl)-1,3-benzoxazole (CID 169047262) is 2-(5-phenyl-2-pyridinyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(5-phenyl-2-pyridinyl)-1,3-benzoxazole?
The canonical SMILES for 2-(5-phenyl-2-pyridinyl)-1,3-benzoxazole is c1ccc(-c2ccc(-c3nc4ccccc4o3)nc2)cc1.
What is the InChIKey of 2-(5-phenyl-2-pyridinyl)-1,3-benzoxazole?
The InChIKey is VNNIVZJVVIWBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O/c1-2-6-13(7-3-1)14-10-11-16(19-12-14)18-20-15-8-4-5-9-17(15)21-18/h1-12H.
What are the key properties of 2-(5-phenyl-2-pyridinyl)-1,3-benzoxazole?
2-(5-phenyl-2-pyridinyl)-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 2-(5-phenyl-2-pyridinyl)-1,3-benzoxazole is sourced from PubChem (CID 169047262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).