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

C17H13N3O4 — CID 108812505

IUPAC4-[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)cc1)Nc1cc(-c2ccccc2)on1
InChIInChI=1S/C17H13N3O4/c21-16(22)12-6-8-13(9-7-12)18-17(23)19-15-10-14(24-20-15)11-4-2-1-3-5-11/h1-10H,(H,21,22)(H2,18,19,20,23)
InChIKeyRSFAQBQTXMCZCY-UHFFFAOYSA-N
MW323.31 g/mol
LogP3.68
Rot. Bonds4

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

4-[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid (PubChem CID 108812505) has the molecular formula C17H13N3O4 and a molecular weight of 323.31 g/mol. Its IUPAC name is 4-[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name4-[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid
PubChem CID108812505
Molecular FormulaC17H13N3O4
Molecular Weight323.31 g/mol
Exact Mass323.09
IUPAC Name4-[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)cc1)Nc1cc(-c2ccccc2)on1
InChIInChI=1S/C17H13N3O4/c21-16(22)12-6-8-13(9-7-12)18-17(23)19-15-10-14(24-20-15)11-4-2-1-3-5-11/h1-10H,(H,21,22)(H2,18,19,20,23)
InChIKeyRSFAQBQTXMCZCY-UHFFFAOYSA-N
XLogP3.68
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid?
The IUPAC name of 4-[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid (CID 108812505) is 4-[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid.
What is the SMILES notation for 4-[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid?
The canonical SMILES for 4-[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid is O=C(Nc1ccc(C(=O)O)cc1)Nc1cc(-c2ccccc2)on1.
What is the InChIKey of 4-[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid?
The InChIKey is RSFAQBQTXMCZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4/c21-16(22)12-6-8-13(9-7-12)18-17(23)19-15-10-14(24-20-15)11-4-2-1-3-5-11/h1-10H,(H,21,22)(H2,18,19,20,23).
What are the key properties of 4-[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid?
4-[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid has a molecular weight of 323.31 g/mol, XLogP of 3.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid is sourced from PubChem (CID 108812505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).