3-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propanoic acid

C13H10F3NO3 — CID 115087405

IUPAC3-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propanoic acid
SMILESO=C(O)CCc1cnc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C13H10F3NO3/c14-13(15,16)9-3-1-8(2-4-9)12-17-7-10(20-12)5-6-11(18)19/h1-4,7H,5-6H2,(H,18,19)
InChIKeyBVCLFGNLPJKIJR-UHFFFAOYSA-N
MW285.22 g/mol
LogP3.38
Rot. Bonds4

About 3-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propanoic acid

3-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propanoic acid (PubChem CID 115087405) has the molecular formula C13H10F3NO3 and a molecular weight of 285.22 g/mol. Its IUPAC name is 3-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propanoic acid
PubChem CID115087405
Molecular FormulaC13H10F3NO3
Molecular Weight285.22 g/mol
Exact Mass285.06
IUPAC Name3-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propanoic acid
SMILESO=C(O)CCc1cnc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C13H10F3NO3/c14-13(15,16)9-3-1-8(2-4-9)12-17-7-10(20-12)5-6-11(18)19/h1-4,7H,5-6H2,(H,18,19)
InChIKeyBVCLFGNLPJKIJR-UHFFFAOYSA-N
XLogP3.38
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propanoic acid
CID 105423991
2-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]acetic acid
CID 6619507
5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 102265146
2-[2-(4-methylphenyl)-1,3-oxazol-5-yl]acetic acid
CID 82471717
3-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]propanoic acid
CID 115086873
3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid
CID 94303681
3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoic acid
CID 106784034
3-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]propanoic acid
CID 119089174
3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]propanamide
CID 154324455
4-[2-[5-bromo-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]heptanedioic acid
CID 123494978
3-[2-butyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]propanoic acid
CID 68833126
2-[2-(4-bromophenyl)-1,3-oxazol-5-yl]ethanol
CID 115087329

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propanoic acid?
The IUPAC name of 3-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propanoic acid (CID 115087405) is 3-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propanoic acid?
The canonical SMILES for 3-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propanoic acid is O=C(O)CCc1cnc(-c2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 3-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propanoic acid?
The InChIKey is BVCLFGNLPJKIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO3/c14-13(15,16)9-3-1-8(2-4-9)12-17-7-10(20-12)5-6-11(18)19/h1-4,7H,5-6H2,(H,18,19).
What are the key properties of 3-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propanoic acid?
3-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propanoic acid has a molecular weight of 285.22 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propanoic acid is sourced from PubChem (CID 115087405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).