3-[N-(1,2-oxazol-4-ylmethyl)anilino]propanoic acid

C13H14N2O3 — CID 60873648

IUPAC3-[N-(1,2-oxazol-4-ylmethyl)anilino]propanoic acid
SMILESO=C(O)CCN(Cc1cnoc1)c1ccccc1
InChIInChI=1S/C13H14N2O3/c16-13(17)6-7-15(9-11-8-14-18-10-11)12-4-2-1-3-5-12/h1-5,8,10H,6-7,9H2,(H,16,17)
InChIKeyUJENSWOCDPRIBU-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.16
Rot. Bonds6

About 3-[N-(1,2-oxazol-4-ylmethyl)anilino]propanoic acid

3-[N-(1,2-oxazol-4-ylmethyl)anilino]propanoic acid (PubChem CID 60873648) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-[N-(1,2-oxazol-4-ylmethyl)anilino]propanoic acid.

Molecular Properties

Compound Name3-[N-(1,2-oxazol-4-ylmethyl)anilino]propanoic acid
PubChem CID60873648
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name3-[N-(1,2-oxazol-4-ylmethyl)anilino]propanoic acid
SMILESO=C(O)CCN(Cc1cnoc1)c1ccccc1
InChIInChI=1S/C13H14N2O3/c16-13(17)6-7-15(9-11-8-14-18-10-11)12-4-2-1-3-5-12/h1-5,8,10H,6-7,9H2,(H,16,17)
InChIKeyUJENSWOCDPRIBU-UHFFFAOYSA-N
XLogP2.16
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[N-(1,2-oxazol-4-ylmethyl)anilino]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-(1,2-oxazol-4-yl)propanoic acid
CID 23006336
4-[N-(furan-3-ylmethyl)anilino]butanoic acid
CID 65057027
3-[N-[(2-methylpyrazol-3-yl)methyl]anilino]propanoic acid
CID 65059465
3-[N-[(2,6-dichlorophenyl)methyl]anilino]propanoic acid
CID 60839248
3-(N-benzyl-4-propan-2-ylanilino)propanoic acid
CID 82317290
3-[N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]anilino]propanoic acid
CID 60838393
4-(1,2-oxazol-4-yl)butanoic acid
CID 45099096
3-[N-[(2,4-dichlorophenyl)methyl]anilino]propanoic acid
CID 60839245
3-[N-[(3-methyl-2-pyridinyl)methyl]anilino]propanoic acid
CID 115982199
4-[N-[(4-methylphenyl)methyl]anilino]butanoic acid
CID 60839271
4-[N-[(4-iodophenyl)methyl]anilino]butanoic acid
CID 65478869
3-[N-(cyanomethyl)anilino]propanoic acid
CID 60839584

Frequently Asked Questions

What is the IUPAC name of 3-[N-(1,2-oxazol-4-ylmethyl)anilino]propanoic acid?
The IUPAC name of 3-[N-(1,2-oxazol-4-ylmethyl)anilino]propanoic acid (CID 60873648) is 3-[N-(1,2-oxazol-4-ylmethyl)anilino]propanoic acid.
What is the SMILES notation for 3-[N-(1,2-oxazol-4-ylmethyl)anilino]propanoic acid?
The canonical SMILES for 3-[N-(1,2-oxazol-4-ylmethyl)anilino]propanoic acid is O=C(O)CCN(Cc1cnoc1)c1ccccc1.
What is the InChIKey of 3-[N-(1,2-oxazol-4-ylmethyl)anilino]propanoic acid?
The InChIKey is UJENSWOCDPRIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c16-13(17)6-7-15(9-11-8-14-18-10-11)12-4-2-1-3-5-12/h1-5,8,10H,6-7,9H2,(H,16,17).
What are the key properties of 3-[N-(1,2-oxazol-4-ylmethyl)anilino]propanoic acid?
3-[N-(1,2-oxazol-4-ylmethyl)anilino]propanoic acid has a molecular weight of 246.27 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(1,2-oxazol-4-ylmethyl)anilino]propanoic acid is sourced from PubChem (CID 60873648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).