4-[5-[4-(2-phenylethyl)phenyl]-1,2-oxazol-3-yl]benzoic acid

C24H19NO3 — CID 58428394

IUPAC4-[5-[4-(2-phenylethyl)phenyl]-1,2-oxazol-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(-c3ccc(CCc4ccccc4)cc3)on2)cc1
InChIInChI=1S/C24H19NO3/c26-24(27)21-14-12-19(13-15-21)22-16-23(28-25-22)20-10-8-18(9-11-20)7-6-17-4-2-1-3-5-17/h1-5,8-16H,6-7H2,(H,26,27)
InChIKeyXREVNHASKDFENS-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.49
Rot. Bonds6

About 4-[5-[4-(2-phenylethyl)phenyl]-1,2-oxazol-3-yl]benzoic acid

4-[5-[4-(2-phenylethyl)phenyl]-1,2-oxazol-3-yl]benzoic acid (PubChem CID 58428394) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-[5-[4-(2-phenylethyl)phenyl]-1,2-oxazol-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-[4-(2-phenylethyl)phenyl]-1,2-oxazol-3-yl]benzoic acid
PubChem CID58428394
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC Name4-[5-[4-(2-phenylethyl)phenyl]-1,2-oxazol-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(-c3ccc(CCc4ccccc4)cc3)on2)cc1
InChIInChI=1S/C24H19NO3/c26-24(27)21-14-12-19(13-15-21)22-16-23(28-25-22)20-10-8-18(9-11-20)7-6-17-4-2-1-3-5-17/h1-5,8-16H,6-7H2,(H,26,27)
InChIKeyXREVNHASKDFENS-UHFFFAOYSA-N
XLogP5.49
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[5-(4-butylphenyl)-1,2-oxazol-3-yl]phenyl]ethanone
CID 58428317
4-[5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]benzoic acid
CID 58428392
[4-(5-phenyl-1,2-oxazol-3-yl)phenyl] benzoate
CID 144750288
5-[4-(2-hydroxyethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 115111153
5-[4-(2-phenylethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 54846814
methyl 4-[3-oxo-3-(4-pentoxyphenyl)propanoyl]benzoate;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzoic acid
CID 158232322
5-[4-(3-phenylpropoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 54846850
3-[4-(3-methoxy-3-methylbutyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 115112571
4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide;hydrochloride
CID 16658981
4-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]phenol
CID 137045534
3-[4-(3-fluoropropyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117375396
5-phenyl-3-pyridin-4-yl-1,2-oxazole
CID 5112426

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(2-phenylethyl)phenyl]-1,2-oxazol-3-yl]benzoic acid?
The IUPAC name of 4-[5-[4-(2-phenylethyl)phenyl]-1,2-oxazol-3-yl]benzoic acid (CID 58428394) is 4-[5-[4-(2-phenylethyl)phenyl]-1,2-oxazol-3-yl]benzoic acid.
What is the SMILES notation for 4-[5-[4-(2-phenylethyl)phenyl]-1,2-oxazol-3-yl]benzoic acid?
The canonical SMILES for 4-[5-[4-(2-phenylethyl)phenyl]-1,2-oxazol-3-yl]benzoic acid is O=C(O)c1ccc(-c2cc(-c3ccc(CCc4ccccc4)cc3)on2)cc1.
What is the InChIKey of 4-[5-[4-(2-phenylethyl)phenyl]-1,2-oxazol-3-yl]benzoic acid?
The InChIKey is XREVNHASKDFENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3/c26-24(27)21-14-12-19(13-15-21)22-16-23(28-25-22)20-10-8-18(9-11-20)7-6-17-4-2-1-3-5-17/h1-5,8-16H,6-7H2,(H,26,27).
What are the key properties of 4-[5-[4-(2-phenylethyl)phenyl]-1,2-oxazol-3-yl]benzoic acid?
4-[5-[4-(2-phenylethyl)phenyl]-1,2-oxazol-3-yl]benzoic acid has a molecular weight of 369.42 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(2-phenylethyl)phenyl]-1,2-oxazol-3-yl]benzoic acid is sourced from PubChem (CID 58428394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).