4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoic acid

C17H14N2O5 — CID 6484778

IUPAC4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoic acid
SMILESO=C(CCn1c(=O)oc2ccccc21)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C17H14N2O5/c20-15(18-12-7-5-11(6-8-12)16(21)22)9-10-19-13-3-1-2-4-14(13)24-17(19)23/h1-8H,9-10H2,(H,18,20)(H,21,22)
InChIKeyFOOLRDUZWKIZPO-UHFFFAOYSA-N
MW326.31 g/mol
LogP2.32
Rot. Bonds5

About 4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoic acid

4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoic acid (PubChem CID 6484778) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is 4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoic acid.

Molecular Properties

Compound Name4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoic acid
PubChem CID6484778
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC Name4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoic acid
SMILESO=C(CCn1c(=O)oc2ccccc21)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C17H14N2O5/c20-15(18-12-7-5-11(6-8-12)16(21)22)9-10-19-13-3-1-2-4-14(13)24-17(19)23/h1-8H,9-10H2,(H,18,20)(H,21,22)
InChIKeyFOOLRDUZWKIZPO-UHFFFAOYSA-N
XLogP2.32
TPSA101.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoic acid?
The IUPAC name of 4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoic acid (CID 6484778) is 4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoic acid.
What is the SMILES notation for 4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoic acid?
The canonical SMILES for 4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoic acid is O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoic acid?
The InChIKey is FOOLRDUZWKIZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5/c20-15(18-12-7-5-11(6-8-12)16(21)22)9-10-19-13-3-1-2-4-14(13)24-17(19)23/h1-8H,9-10H2,(H,18,20)(H,21,22).
What are the key properties of 4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoic acid?
4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoic acid has a molecular weight of 326.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoic acid is sourced from PubChem (CID 6484778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).