2-(4-phenylphenyl)-1,3-benzoxazole

C19H13NO — CID 868539

IUPAC2-(4-phenylphenyl)-1,3-benzoxazole
SMILESc1ccc(-c2ccc(-c3nc4ccccc4o3)cc2)cc1
InChIInChI=1S/C19H13NO/c1-2-6-14(7-3-1)15-10-12-16(13-11-15)19-20-17-8-4-5-9-18(17)21-19/h1-13H
InChIKeyCYCMQKNWEVYOIJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP5.16
Rot. Bonds2

About 2-(4-phenylphenyl)-1,3-benzoxazole

2-(4-phenylphenyl)-1,3-benzoxazole (PubChem CID 868539) has the molecular formula C19H13NO and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-phenylphenyl)-1,3-benzoxazole
PubChem CID868539
Molecular FormulaC19H13NO
Molecular Weight271.32 g/mol
Exact Mass271.10
IUPAC Name2-(4-phenylphenyl)-1,3-benzoxazole
SMILESc1ccc(-c2ccc(-c3nc4ccccc4o3)cc2)cc1
InChIInChI=1S/C19H13NO/c1-2-6-14(7-3-1)15-10-12-16(13-11-15)19-20-17-8-4-5-9-18(17)21-19/h1-13H
InChIKeyCYCMQKNWEVYOIJ-UHFFFAOYSA-N
XLogP5.16
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.32
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-1,3-benzoxazole?
The IUPAC name of 2-(4-phenylphenyl)-1,3-benzoxazole (CID 868539) is 2-(4-phenylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(4-phenylphenyl)-1,3-benzoxazole?
The canonical SMILES for 2-(4-phenylphenyl)-1,3-benzoxazole is c1ccc(-c2ccc(-c3nc4ccccc4o3)cc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)-1,3-benzoxazole?
The InChIKey is CYCMQKNWEVYOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO/c1-2-6-14(7-3-1)15-10-12-16(13-11-15)19-20-17-8-4-5-9-18(17)21-19/h1-13H.
What are the key properties of 2-(4-phenylphenyl)-1,3-benzoxazole?
2-(4-phenylphenyl)-1,3-benzoxazole has a molecular weight of 271.32 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 868539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).