2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone

C19H22F3N3O2 — CID 158921955

IUPAC2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone
SMILESCC(C)(C)c1cc(CC(=O)C2CCCN2c2ccc(C(F)(F)F)cn2)no1
InChIInChI=1S/C19H22F3N3O2/c1-18(2,3)16-10-13(24-27-16)9-15(26)14-5-4-8-25(14)17-7-6-12(11-23-17)19(20,21)22/h6-7,10-11,14H,4-5,8-9H2,1-3H3
InChIKeyCSJFYQBTGNDKHT-UHFFFAOYSA-N
MW381.40 g/mol
LogP4.17
Rot. Bonds4

About 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone

2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone (PubChem CID 158921955) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone
PubChem CID158921955
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC Name2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone
SMILESCC(C)(C)c1cc(CC(=O)C2CCCN2c2ccc(C(F)(F)F)cn2)no1
InChIInChI=1S/C19H22F3N3O2/c1-18(2,3)16-10-13(24-27-16)9-15(26)14-5-4-8-25(14)17-7-6-12(11-23-17)19(20,21)22/h6-7,10-11,14H,4-5,8-9H2,1-3H3
InChIKeyCSJFYQBTGNDKHT-UHFFFAOYSA-N
XLogP4.17
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanone
CID 152892662
1-[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 158966559
1-[(2S)-1-(4-chlorophenyl)pyrrolidin-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 158966557
N-(furan-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 86930900
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-(oxane-4-carbonyl)piperidin-2-yl]ethanone
CID 58564037
(2S)-N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 136641161
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-(morpholine-4-carbonyl)piperidin-2-yl]ethanone
CID 58564058
tert-butyl (2S)-2-[2-[5-(trifluoromethyl)-2-pyridinyl]acetyl]piperidine-1-carboxylate
CID 58563799
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-piperidin-2-yl]ethanone
CID 58563745
[(2R,3S)-2-(hydroxymethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol
CID 164642673
2-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]acetamide
CID 100689790
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-[4-(trifluoromethyl)phenyl]sulfonylbutan-2-one
CID 58198447

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone?
The IUPAC name of 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone (CID 158921955) is 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone?
The canonical SMILES for 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone is CC(C)(C)c1cc(CC(=O)C2CCCN2c2ccc(C(F)(F)F)cn2)no1.
What is the InChIKey of 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone?
The InChIKey is CSJFYQBTGNDKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c1-18(2,3)16-10-13(24-27-16)9-15(26)14-5-4-8-25(14)17-7-6-12(11-23-17)19(20,21)22/h6-7,10-11,14H,4-5,8-9H2,1-3H3.
What are the key properties of 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone?
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone has a molecular weight of 381.40 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 158921955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).