3-(4-phenylphenyl)-2,1-benzoxazole-5-carboxylic acid

C20H13NO3 — CID 164887496

IUPAC3-(4-phenylphenyl)-2,1-benzoxazole-5-carboxylic acid
SMILESO=C(O)c1ccc2noc(-c3ccc(-c4ccccc4)cc3)c2c1
InChIInChI=1S/C20H13NO3/c22-20(23)16-10-11-18-17(12-16)19(24-21-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,22,23)
InChIKeyFGCSKRKOSIKUGT-UHFFFAOYSA-N
MW315.33 g/mol
LogP4.86
Rot. Bonds3

About 3-(4-phenylphenyl)-2,1-benzoxazole-5-carboxylic acid

3-(4-phenylphenyl)-2,1-benzoxazole-5-carboxylic acid (PubChem CID 164887496) has the molecular formula C20H13NO3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 3-(4-phenylphenyl)-2,1-benzoxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-phenylphenyl)-2,1-benzoxazole-5-carboxylic acid
PubChem CID164887496
Molecular FormulaC20H13NO3
Molecular Weight315.33 g/mol
Exact Mass315.09
IUPAC Name3-(4-phenylphenyl)-2,1-benzoxazole-5-carboxylic acid
SMILESO=C(O)c1ccc2noc(-c3ccc(-c4ccccc4)cc3)c2c1
InChIInChI=1S/C20H13NO3/c22-20(23)16-10-11-18-17(12-16)19(24-21-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,22,23)
InChIKeyFGCSKRKOSIKUGT-UHFFFAOYSA-N
XLogP4.86
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylphenyl)-2,1-benzoxazole-5-carboxylic acid?
The IUPAC name of 3-(4-phenylphenyl)-2,1-benzoxazole-5-carboxylic acid (CID 164887496) is 3-(4-phenylphenyl)-2,1-benzoxazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-phenylphenyl)-2,1-benzoxazole-5-carboxylic acid?
The canonical SMILES for 3-(4-phenylphenyl)-2,1-benzoxazole-5-carboxylic acid is O=C(O)c1ccc2noc(-c3ccc(-c4ccccc4)cc3)c2c1.
What is the InChIKey of 3-(4-phenylphenyl)-2,1-benzoxazole-5-carboxylic acid?
The InChIKey is FGCSKRKOSIKUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO3/c22-20(23)16-10-11-18-17(12-16)19(24-21-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,22,23).
What are the key properties of 3-(4-phenylphenyl)-2,1-benzoxazole-5-carboxylic acid?
3-(4-phenylphenyl)-2,1-benzoxazole-5-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylphenyl)-2,1-benzoxazole-5-carboxylic acid is sourced from PubChem (CID 164887496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).