1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone

C15H17F3N4O2 — CID 22586627

IUPAC1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCc1cc(C2CCCN2C(=O)Cn2nc(C(F)(F)F)cc2C)no1
InChIInChI=1S/C15H17F3N4O2/c1-9-6-13(15(16,17)18)19-22(9)8-14(23)21-5-3-4-12(21)11-7-10(2)24-20-11/h6-7,12H,3-5,8H2,1-2H3
InChIKeyRMFDEGLGCRATKS-UHFFFAOYSA-N
MW342.32 g/mol
LogP2.87
Rot. Bonds3

About 1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone

1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone (PubChem CID 22586627) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is 1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
PubChem CID22586627
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC Name1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCc1cc(C2CCCN2C(=O)Cn2nc(C(F)(F)F)cc2C)no1
InChIInChI=1S/C15H17F3N4O2/c1-9-6-13(15(16,17)18)19-22(9)8-14(23)21-5-3-4-12(21)11-7-10(2)24-20-11/h6-7,12H,3-5,8H2,1-2H3
InChIKeyRMFDEGLGCRATKS-UHFFFAOYSA-N
XLogP2.87
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The IUPAC name of 1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone (CID 22586627) is 1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone is Cc1cc(C2CCCN2C(=O)Cn2nc(C(F)(F)F)cc2C)no1.
What is the InChIKey of 1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The InChIKey is RMFDEGLGCRATKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c1-9-6-13(15(16,17)18)19-22(9)8-14(23)21-5-3-4-12(21)11-7-10(2)24-20-11/h6-7,12H,3-5,8H2,1-2H3.
What are the key properties of 1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone has a molecular weight of 342.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 22586627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).