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

C17H14N2O4 — CID 122605301

IUPAC2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C17H14N2O4/c20-15(13-3-1-2-4-14(13)17(21)22)19-12-7-5-11(6-8-12)16-18-9-10-23-16/h1-8H,9-10H2,(H,19,20)(H,21,22)
InChIKeyKGLIPSFJHLUBQZ-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.41
Rot. Bonds4

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

2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbamoyl]benzoic acid (PubChem CID 122605301) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbamoyl]benzoic acid
PubChem CID122605301
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C17H14N2O4/c20-15(13-3-1-2-4-14(13)17(21)22)19-12-7-5-11(6-8-12)16-18-9-10-23-16/h1-8H,9-10H2,(H,19,20)(H,21,22)
InChIKeyKGLIPSFJHLUBQZ-UHFFFAOYSA-N
XLogP2.41
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-phenylprop-2-enamide
CID 102460927
N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-fluorobenzamide
CID 4591992
2-[(4-carboxyphenyl)carbamoyl]benzoic acid
CID 746560
1-(3-chlorophenyl)-3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]urea
CID 3576575
2-[[4-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 4544849
2-[[4-(2-methylphenyl)phenyl]carbamoyl]benzoic acid
CID 70637125
1-N,2-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,2-dicarboxamide
CID 3036997
2-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]carbamoyl]benzoic acid
CID 90451427
2-[[4-(1H-imidazol-2-yl)phenyl]carbamoyl]benzoic acid
CID 90451425
2-[[4-[(E)-2-phenylethenyl]phenyl]carbamoyl]benzoic acid
CID 680540
2-[[4-(diethylamino)phenyl]carbamoyl]benzoic acid
CID 730395
2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 1008649

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbamoyl]benzoic acid (CID 122605301) is 2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)Nc1ccc(C2=NCCO2)cc1.
What is the InChIKey of 2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbamoyl]benzoic acid?
The InChIKey is KGLIPSFJHLUBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c20-15(13-3-1-2-4-14(13)17(21)22)19-12-7-5-11(6-8-12)16-18-9-10-23-16/h1-8H,9-10H2,(H,19,20)(H,21,22).
What are the key properties of 2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbamoyl]benzoic acid?
2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbamoyl]benzoic acid has a molecular weight of 310.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 122605301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).