2-[(4-phenylphenyl)methyl]-1,3-oxazole-4-carboxylic acid

C17H13NO3 — CID 176989464

IUPAC2-[(4-phenylphenyl)methyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(Cc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C17H13NO3/c19-17(20)15-11-21-16(18-15)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,19,20)
InChIKeySXIKBEVQMZQOAN-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.63
Rot. Bonds4

About 2-[(4-phenylphenyl)methyl]-1,3-oxazole-4-carboxylic acid

2-[(4-phenylphenyl)methyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 176989464) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[(4-phenylphenyl)methyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4-phenylphenyl)methyl]-1,3-oxazole-4-carboxylic acid
PubChem CID176989464
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name2-[(4-phenylphenyl)methyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(Cc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C17H13NO3/c19-17(20)15-11-21-16(18-15)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,19,20)
InChIKeySXIKBEVQMZQOAN-UHFFFAOYSA-N
XLogP3.63
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylphenyl)methyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[(4-phenylphenyl)methyl]-1,3-oxazole-4-carboxylic acid (CID 176989464) is 2-[(4-phenylphenyl)methyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[(4-phenylphenyl)methyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[(4-phenylphenyl)methyl]-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(Cc2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 2-[(4-phenylphenyl)methyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is SXIKBEVQMZQOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-17(20)15-11-21-16(18-15)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,19,20).
What are the key properties of 2-[(4-phenylphenyl)methyl]-1,3-oxazole-4-carboxylic acid?
2-[(4-phenylphenyl)methyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylphenyl)methyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 176989464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).