[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone

C15H17F3N4O2 — CID 92893587

IUPAC[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
SMILESCc1noc(C)c1[C@@H]1CCCN1C(=O)c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C15H17F3N4O2/c1-8-13(9(2)24-20-8)10-5-4-6-22(10)14(23)11-7-12(15(16,17)18)19-21(11)3/h7,10H,4-6H2,1-3H3/t10-/m0/s1
InChIKeyCDEFCLINHLUFLT-JTQLQIEISA-N
MW342.32 g/mol
LogP3.02
Rot. Bonds2

About [(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone

[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone (PubChem CID 92893587) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is [(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
PubChem CID92893587
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC Name[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
SMILESCc1noc(C)c1[C@@H]1CCCN1C(=O)c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C15H17F3N4O2/c1-8-13(9(2)24-20-8)10-5-4-6-22(10)14(23)11-7-12(15(16,17)18)19-21(11)3/h7,10H,4-6H2,1-3H3/t10-/m0/s1
InChIKeyCDEFCLINHLUFLT-JTQLQIEISA-N
XLogP3.02
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92731723
[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 50809277
[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 74249087
6-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 95222314
[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methanone
CID 92893531
[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 95052032
[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-fluorophenyl)methanone
CID 53009589
3-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one
CID 126453365
[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 53017150
(2,6-dimethoxyphenyl)-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 92893574
[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 95722539
[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 97138582

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone?
The IUPAC name of [(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone (CID 92893587) is [(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone.
What is the SMILES notation for [(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone?
The canonical SMILES for [(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone is Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1cc(C(F)(F)F)nn1C.
What is the InChIKey of [(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone?
The InChIKey is CDEFCLINHLUFLT-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17F3N4O2/c1-8-13(9(2)24-20-8)10-5-4-6-22(10)14(23)11-7-12(15(16,17)18)19-21(11)3/h7,10H,4-6H2,1-3H3/t10-/m0/s1.
What are the key properties of [(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone?
[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone has a molecular weight of 342.32 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone is sourced from PubChem (CID 92893587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).