5-phenyl-2-pyridin-2-yl-1,3-benzoxazole

C18H12N2O — CID 132598032

IUPAC5-phenyl-2-pyridin-2-yl-1,3-benzoxazole
SMILESc1ccc(-c2ccc3oc(-c4ccccn4)nc3c2)cc1
InChIInChI=1S/C18H12N2O/c1-2-6-13(7-3-1)14-9-10-17-16(12-14)20-18(21-17)15-8-4-5-11-19-15/h1-12H
InChIKeyYSYZIGSLOBJZBB-UHFFFAOYSA-N
MW272.31 g/mol
LogP4.56
Rot. Bonds2

About 5-phenyl-2-pyridin-2-yl-1,3-benzoxazole

5-phenyl-2-pyridin-2-yl-1,3-benzoxazole (PubChem CID 132598032) has the molecular formula C18H12N2O and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-phenyl-2-pyridin-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5-phenyl-2-pyridin-2-yl-1,3-benzoxazole
PubChem CID132598032
Molecular FormulaC18H12N2O
Molecular Weight272.31 g/mol
Exact Mass272.09
IUPAC Name5-phenyl-2-pyridin-2-yl-1,3-benzoxazole
SMILESc1ccc(-c2ccc3oc(-c4ccccn4)nc3c2)cc1
InChIInChI=1S/C18H12N2O/c1-2-6-13(7-3-1)14-9-10-17-16(12-14)20-18(21-17)15-8-4-5-11-19-15/h1-12H
InChIKeyYSYZIGSLOBJZBB-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

5-methyl-2-pyridin-2-yl-1,3-benzoxazole
CID 12031006
2-(4-chlorophenyl)-5-pyridin-2-yl-1,3-benzoxazole
CID 161074918
2-pyridin-2-yl-1,3-benzoxazole-5-carbaldehyde
CID 82158867
4-(5-phenyl-1,3-benzoxazol-2-yl)aniline
CID 3933123
5-[2-[2-(4-phenylquinolin-2-yl)phenyl]naphthalen-1-yl]-2-pyridin-2-yl-1,3-benzoxazole
CID 174333362
2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[4-(2-phenyl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazol-6-amine
CID 163575240
2-(3,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole
CID 91678574
2-(5-phenyl-2-pyridinyl)-1,3-benzoxazole
CID 169047262
2-methanidyl-5-phenyl-1,3-benzoxazole;yttrium
CID 59968233
2-[4-(bromomethyl)phenyl]-5-phenyl-1,3-benzoxazole
CID 50850862
6-(4-naphthalen-1-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole
CID 149428077
2-methyl-5-(5-phenyl-1,3-benzoxazol-2-yl)aniline
CID 10266812

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-pyridin-2-yl-1,3-benzoxazole?
The IUPAC name of 5-phenyl-2-pyridin-2-yl-1,3-benzoxazole (CID 132598032) is 5-phenyl-2-pyridin-2-yl-1,3-benzoxazole.
What is the SMILES notation for 5-phenyl-2-pyridin-2-yl-1,3-benzoxazole?
The canonical SMILES for 5-phenyl-2-pyridin-2-yl-1,3-benzoxazole is c1ccc(-c2ccc3oc(-c4ccccn4)nc3c2)cc1.
What is the InChIKey of 5-phenyl-2-pyridin-2-yl-1,3-benzoxazole?
The InChIKey is YSYZIGSLOBJZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O/c1-2-6-13(7-3-1)14-9-10-17-16(12-14)20-18(21-17)15-8-4-5-11-19-15/h1-12H.
What are the key properties of 5-phenyl-2-pyridin-2-yl-1,3-benzoxazole?
5-phenyl-2-pyridin-2-yl-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 5-phenyl-2-pyridin-2-yl-1,3-benzoxazole is sourced from PubChem (CID 132598032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).