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

C12H11NO3 — CID 53414694

IUPAC3-(5-phenyl-1,2-oxazol-3-yl)propanoic acid
SMILESO=C(O)CCc1cc(-c2ccccc2)on1
InChIInChI=1S/C12H11NO3/c14-12(15)7-6-10-8-11(16-13-10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15)
InChIKeyXESGOZDUEGZQTB-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.36
Rot. Bonds4

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

3-(5-phenyl-1,2-oxazol-3-yl)propanoic acid (PubChem CID 53414694) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 3-(5-phenyl-1,2-oxazol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-phenyl-1,2-oxazol-3-yl)propanoic acid
PubChem CID53414694
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name3-(5-phenyl-1,2-oxazol-3-yl)propanoic acid
SMILESO=C(O)CCc1cc(-c2ccccc2)on1
InChIInChI=1S/C12H11NO3/c14-12(15)7-6-10-8-11(16-13-10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15)
InChIKeyXESGOZDUEGZQTB-UHFFFAOYSA-N
XLogP2.36
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 60988202
3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 61009666
3-acetamido-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]propanamide
CID 110633970
1-phenyl-3-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]urea
CID 110314655
2-[(5-phenyl-1,2-oxazol-3-yl)methyl-propan-2-ylamino]acetic acid
CID 60840315
N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide
CID 110314681
2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866545
2-(4-fluorophenyl)-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]acetamide
CID 110314644
4-[(5-phenyl-1,2-oxazol-3-yl)methylsulfonyl]phenol
CID 56822051
N-[4-[2-(5-phenyl-1,2-oxazol-3-yl)ethylsulfamoyl]phenyl]acetamide
CID 110314714
3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid
CID 62825872
2-[cyclopropylmethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetic acid
CID 43656694

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1,2-oxazol-3-yl)propanoic acid?
The IUPAC name of 3-(5-phenyl-1,2-oxazol-3-yl)propanoic acid (CID 53414694) is 3-(5-phenyl-1,2-oxazol-3-yl)propanoic acid.
What is the SMILES notation for 3-(5-phenyl-1,2-oxazol-3-yl)propanoic acid?
The canonical SMILES for 3-(5-phenyl-1,2-oxazol-3-yl)propanoic acid is O=C(O)CCc1cc(-c2ccccc2)on1.
What is the InChIKey of 3-(5-phenyl-1,2-oxazol-3-yl)propanoic acid?
The InChIKey is XESGOZDUEGZQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c14-12(15)7-6-10-8-11(16-13-10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15).
What are the key properties of 3-(5-phenyl-1,2-oxazol-3-yl)propanoic acid?
3-(5-phenyl-1,2-oxazol-3-yl)propanoic acid has a molecular weight of 217.22 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1,2-oxazol-3-yl)propanoic acid is sourced from PubChem (CID 53414694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).