3-[2-(1,2-oxazol-3-ylmethylcarbamoylamino)phenyl]propanoic acid

C14H15N3O4 — CID 107274113

IUPAC3-[2-(1,2-oxazol-3-ylmethylcarbamoylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1NC(=O)NCc1ccon1
InChIInChI=1S/C14H15N3O4/c18-13(19)6-5-10-3-1-2-4-12(10)16-14(20)15-9-11-7-8-21-17-11/h1-4,7-8H,5-6,9H2,(H,18,19)(H2,15,16,20)
InChIKeyPFVLRZBJMPWDKL-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.01
Rot. Bonds6

About 3-[2-(1,2-oxazol-3-ylmethylcarbamoylamino)phenyl]propanoic acid

3-[2-(1,2-oxazol-3-ylmethylcarbamoylamino)phenyl]propanoic acid (PubChem CID 107274113) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-[2-(1,2-oxazol-3-ylmethylcarbamoylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-(1,2-oxazol-3-ylmethylcarbamoylamino)phenyl]propanoic acid
PubChem CID107274113
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name3-[2-(1,2-oxazol-3-ylmethylcarbamoylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1NC(=O)NCc1ccon1
InChIInChI=1S/C14H15N3O4/c18-13(19)6-5-10-3-1-2-4-12(10)16-14(20)15-9-11-7-8-21-17-11/h1-4,7-8H,5-6,9H2,(H,18,19)(H2,15,16,20)
InChIKeyPFVLRZBJMPWDKL-UHFFFAOYSA-N
XLogP2.01
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[2-(1,2-oxazol-3-ylmethylcarbamoylamino)phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(1,3-thiazol-2-ylmethylcarbamoylamino)phenyl]propanoic acid
CID 107274047
7-(1,2-oxazol-3-ylmethylcarbamoylamino)heptanoic acid
CID 81177356
1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea
CID 75433856
1-amino-3-(1,2-oxazol-3-ylmethyl)urea
CID 81177768
2-[2-(1,3-thiazol-4-ylmethylcarbamoylamino)phenyl]acetic acid
CID 63825227
1-(2-hydroxy-3-phenylpropyl)-3-(1,2-oxazol-3-ylmethyl)urea
CID 111603989
3-(1,2-oxazol-3-ylmethylcarbamoylamino)benzoic acid
CID 81177747
3-methyl-2-(1,2-oxazol-3-ylmethylcarbamoylamino)benzoic acid
CID 81177115
1-(1,2-oxazol-3-ylmethyl)-3-propylurea
CID 115672343
3-[2-(pyridine-4-carbonylamino)phenyl]propanoic acid
CID 107272370
3-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 107272302
2-chloro-5-(1,2-oxazol-3-ylmethylcarbamoylamino)benzoic acid
CID 81178009

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,2-oxazol-3-ylmethylcarbamoylamino)phenyl]propanoic acid?
The IUPAC name of 3-[2-(1,2-oxazol-3-ylmethylcarbamoylamino)phenyl]propanoic acid (CID 107274113) is 3-[2-(1,2-oxazol-3-ylmethylcarbamoylamino)phenyl]propanoic acid.
What is the SMILES notation for 3-[2-(1,2-oxazol-3-ylmethylcarbamoylamino)phenyl]propanoic acid?
The canonical SMILES for 3-[2-(1,2-oxazol-3-ylmethylcarbamoylamino)phenyl]propanoic acid is O=C(O)CCc1ccccc1NC(=O)NCc1ccon1.
What is the InChIKey of 3-[2-(1,2-oxazol-3-ylmethylcarbamoylamino)phenyl]propanoic acid?
The InChIKey is PFVLRZBJMPWDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c18-13(19)6-5-10-3-1-2-4-12(10)16-14(20)15-9-11-7-8-21-17-11/h1-4,7-8H,5-6,9H2,(H,18,19)(H2,15,16,20).
What are the key properties of 3-[2-(1,2-oxazol-3-ylmethylcarbamoylamino)phenyl]propanoic acid?
3-[2-(1,2-oxazol-3-ylmethylcarbamoylamino)phenyl]propanoic acid has a molecular weight of 289.29 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,2-oxazol-3-ylmethylcarbamoylamino)phenyl]propanoic acid is sourced from PubChem (CID 107274113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).