4,4,4-trifluoro-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid

C10H12F3NO3 — CID 83919764

IUPAC4,4,4-trifluoro-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid
SMILESCC(C)c1cc(C(CC(=O)O)C(F)(F)F)no1
InChIInChI=1S/C10H12F3NO3/c1-5(2)8-4-7(14-17-8)6(3-9(15)16)10(11,12)13/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyUFYXMUVDRMMVAE-UHFFFAOYSA-N
MW251.20 g/mol
LogP2.92
Rot. Bonds4

About 4,4,4-trifluoro-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid

4,4,4-trifluoro-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid (PubChem CID 83919764) has the molecular formula C10H12F3NO3 and a molecular weight of 251.20 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid
PubChem CID83919764
Molecular FormulaC10H12F3NO3
Molecular Weight251.20 g/mol
Exact Mass251.08
IUPAC Name4,4,4-trifluoro-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid
SMILESCC(C)c1cc(C(CC(=O)O)C(F)(F)F)no1
InChIInChI=1S/C10H12F3NO3/c1-5(2)8-4-7(14-17-8)6(3-9(15)16)10(11,12)13/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyUFYXMUVDRMMVAE-UHFFFAOYSA-N
XLogP2.92
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methyl-3-isoxazolepropionic acid
CID 133360
6-(5-Heptyl-1,2-oxazol-3-yl)hexanoic acid
CID 155534755
5-(2-Methylpropyl)-1,2-oxazole-3-carboxylic acid
CID 1133642
3-(3-Methyl-1,2-oxazol-5-yl)propanoic acid
CID 10419396
3-(Butan-2-yl)-1,2-oxazole-5-carboxylic acid
CID 54595047
3-Methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoic acid
CID 82407338
4-(3-Methyl-1,2-oxazol-5-yl)butanoic acid
CID 82412955
2-(5-Cyclopropyl-1,2-oxazol-3-yl)acetic acid
CID 82413932
9-(3-Propylisoxazol-5-yl)nonanoic acid
CID 76324549
Myxofacycline A
CID 169492381
Myxofacycline B
CID 169492382
Myxofacycline C
CID 169492383

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid?
The IUPAC name of 4,4,4-trifluoro-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid (CID 83919764) is 4,4,4-trifluoro-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid.
What is the SMILES notation for 4,4,4-trifluoro-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid?
The canonical SMILES for 4,4,4-trifluoro-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid is CC(C)c1cc(C(CC(=O)O)C(F)(F)F)no1.
What is the InChIKey of 4,4,4-trifluoro-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid?
The InChIKey is UFYXMUVDRMMVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO3/c1-5(2)8-4-7(14-17-8)6(3-9(15)16)10(11,12)13/h4-6H,3H2,1-2H3,(H,15,16).
What are the key properties of 4,4,4-trifluoro-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid?
4,4,4-trifluoro-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid has a molecular weight of 251.20 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid is sourced from PubChem (CID 83919764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).