3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4,4-trifluorobutanoic acid

C11H11F3N2O4 — CID 166241795

IUPAC3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4,4-trifluorobutanoic acid
SMILESO=C(O)CC(NC(=O)c1cc(C2CC2)on1)C(F)(F)F
InChIInChI=1S/C11H11F3N2O4/c12-11(13,14)8(4-9(17)18)15-10(19)6-3-7(20-16-6)5-1-2-5/h3,5,8H,1-2,4H2,(H,15,19)(H,17,18)
InChIKeyFMPMUTMLIRPAGU-UHFFFAOYSA-N
MW292.21 g/mol
LogP1.69
Rot. Bonds5

About 3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4,4-trifluorobutanoic acid

3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4,4-trifluorobutanoic acid (PubChem CID 166241795) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is 3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4,4-trifluorobutanoic acid
PubChem CID166241795
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Name3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4,4-trifluorobutanoic acid
SMILESO=C(O)CC(NC(=O)c1cc(C2CC2)on1)C(F)(F)F
InChIInChI=1S/C11H11F3N2O4/c12-11(13,14)8(4-9(17)18)15-10(19)6-3-7(20-16-6)5-1-2-5/h3,5,8H,1-2,4H2,(H,15,19)(H,17,18)
InChIKeyFMPMUTMLIRPAGU-UHFFFAOYSA-N
XLogP1.69
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4,4-trifluorobutanoic acid?
The IUPAC name of 3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4,4-trifluorobutanoic acid (CID 166241795) is 3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for 3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4,4-trifluorobutanoic acid?
The canonical SMILES for 3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4,4-trifluorobutanoic acid is O=C(O)CC(NC(=O)c1cc(C2CC2)on1)C(F)(F)F.
What is the InChIKey of 3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4,4-trifluorobutanoic acid?
The InChIKey is FMPMUTMLIRPAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c12-11(13,14)8(4-9(17)18)15-10(19)6-3-7(20-16-6)5-1-2-5/h3,5,8H,1-2,4H2,(H,15,19)(H,17,18).
What are the key properties of 3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4,4-trifluorobutanoic acid?
3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4,4-trifluorobutanoic acid has a molecular weight of 292.21 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 166241795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).