5-cyclopropyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2-oxazole-3-carboxamide

C13H13F3N4O2 — CID 71808052

IUPAC5-cyclopropyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCn1ccc(C(F)(F)F)n1)c1cc(C2CC2)on1
InChIInChI=1S/C13H13F3N4O2/c14-13(15,16)11-3-5-20(18-11)6-4-17-12(21)9-7-10(22-19-9)8-1-2-8/h3,5,7-8H,1-2,4,6H2,(H,17,21)
InChIKeyCKHXSFFCBVCUCY-UHFFFAOYSA-N
MW314.27 g/mol
LogP2.20
Rot. Bonds5

About 5-cyclopropyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 71808052) has the molecular formula C13H13F3N4O2 and a molecular weight of 314.27 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2-oxazole-3-carboxamide
PubChem CID71808052
Molecular FormulaC13H13F3N4O2
Molecular Weight314.27 g/mol
Exact Mass314.10
IUPAC Name5-cyclopropyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCn1ccc(C(F)(F)F)n1)c1cc(C2CC2)on1
InChIInChI=1S/C13H13F3N4O2/c14-13(15,16)11-3-5-20(18-11)6-4-17-12(21)9-7-10(22-19-9)8-1-2-8/h3,5,7-8H,1-2,4,6H2,(H,17,21)
InChIKeyCKHXSFFCBVCUCY-UHFFFAOYSA-N
XLogP2.20
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2-oxazole-3-carboxamide (CID 71808052) is 5-cyclopropyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2-oxazole-3-carboxamide is O=C(NCCn1ccc(C(F)(F)F)n1)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is CKHXSFFCBVCUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2/c14-13(15,16)11-3-5-20(18-11)6-4-17-12(21)9-7-10(22-19-9)8-1-2-8/h3,5,7-8H,1-2,4,6H2,(H,17,21).
What are the key properties of 5-cyclopropyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 314.27 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71808052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).