3-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]butanoic acid

C9H10F3NO3 — CID 84699878

IUPAC3-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]butanoic acid
SMILESCc1nc(C(F)(F)F)oc1C(C)CC(=O)O
InChIInChI=1S/C9H10F3NO3/c1-4(3-6(14)15)7-5(2)13-8(16-7)9(10,11)12/h4H,3H2,1-2H3,(H,14,15)
InChIKeyMHICQRNNEOFPMH-UHFFFAOYSA-N
MW237.18 g/mol
LogP2.58
Rot. Bonds3

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

3-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]butanoic acid (PubChem CID 84699878) has the molecular formula C9H10F3NO3 and a molecular weight of 237.18 g/mol. Its IUPAC name is 3-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]butanoic acid.

Molecular Properties

Compound Name3-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]butanoic acid
PubChem CID84699878
Molecular FormulaC9H10F3NO3
Molecular Weight237.18 g/mol
Exact Mass237.06
IUPAC Name3-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]butanoic acid
SMILESCc1nc(C(F)(F)F)oc1C(C)CC(=O)O
InChIInChI=1S/C9H10F3NO3/c1-4(3-6(14)15)7-5(2)13-8(16-7)9(10,11)12/h4H,3H2,1-2H3,(H,14,15)
InChIKeyMHICQRNNEOFPMH-UHFFFAOYSA-N
XLogP2.58
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]butanoic acid?
The IUPAC name of 3-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]butanoic acid (CID 84699878) is 3-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]butanoic acid.
What is the SMILES notation for 3-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]butanoic acid?
The canonical SMILES for 3-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]butanoic acid is Cc1nc(C(F)(F)F)oc1C(C)CC(=O)O.
What is the InChIKey of 3-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]butanoic acid?
The InChIKey is MHICQRNNEOFPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3/c1-4(3-6(14)15)7-5(2)13-8(16-7)9(10,11)12/h4H,3H2,1-2H3,(H,14,15).
What are the key properties of 3-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]butanoic acid?
3-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]butanoic acid has a molecular weight of 237.18 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]butanoic acid is sourced from PubChem (CID 84699878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).