3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid

C12H13NO3 — CID 155819586

IUPAC3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid
SMILESO=C(O)CCC1=NOC(c2ccccc2)C1
InChIInChI=1S/C12H13NO3/c14-12(15)7-6-10-8-11(16-13-10)9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,14,15)
InChIKeyAFUXOOVIQKGODW-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.37
Rot. Bonds4

About 3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid

3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid (PubChem CID 155819586) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid
PubChem CID155819586
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid
SMILESO=C(O)CCC1=NOC(c2ccccc2)C1
InChIInChI=1S/C12H13NO3/c14-12(15)7-6-10-8-11(16-13-10)9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,14,15)
InChIKeyAFUXOOVIQKGODW-UHFFFAOYSA-N
XLogP2.37
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid?
The IUPAC name of 3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid (CID 155819586) is 3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid.
What is the SMILES notation for 3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid?
The canonical SMILES for 3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid is O=C(O)CCC1=NOC(c2ccccc2)C1.
What is the InChIKey of 3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid?
The InChIKey is AFUXOOVIQKGODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c14-12(15)7-6-10-8-11(16-13-10)9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,14,15).
What are the key properties of 3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid?
3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid has a molecular weight of 219.24 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid is sourced from PubChem (CID 155819586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).