1-methyl-4-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidine-1-carbonyl]pyrrolidin-2-one

C19H21F3N4O3 — CID 110217761

IUPAC1-methyl-4-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1noc2nc(C3CCN(C(=O)C4CC(=O)N(C)C4)CC3)cc(C(F)(F)F)c12
InChIInChI=1S/C19H21F3N4O3/c1-10-16-13(19(20,21)22)8-14(23-17(16)29-24-10)11-3-5-26(6-4-11)18(28)12-7-15(27)25(2)9-12/h8,11-12H,3-7,9H2,1-2H3
InChIKeyVTLMKTFDKWEHFK-UHFFFAOYSA-N
MW410.40 g/mol
LogP2.73
Rot. Bonds2

About 1-methyl-4-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidine-1-carbonyl]pyrrolidin-2-one

1-methyl-4-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 110217761) has the molecular formula C19H21F3N4O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is 1-methyl-4-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-4-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID110217761
Molecular FormulaC19H21F3N4O3
Molecular Weight410.40 g/mol
Exact Mass410.16
IUPAC Name1-methyl-4-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1noc2nc(C3CCN(C(=O)C4CC(=O)N(C)C4)CC3)cc(C(F)(F)F)c12
InChIInChI=1S/C19H21F3N4O3/c1-10-16-13(19(20,21)22)8-14(23-17(16)29-24-10)11-3-5-26(6-4-11)18(28)12-7-15(27)25(2)9-12/h8,11-12H,3-7,9H2,1-2H3
InChIKeyVTLMKTFDKWEHFK-UHFFFAOYSA-N
XLogP2.73
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropyl-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
CID 92599471
[(1R,2R)-2-methylcyclopropyl]-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
CID 92599482
(4S)-4-[(3S)-3-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidine-1-carbonyl]-1-prop-2-enylpyrrolidin-2-one
CID 95849954
[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 92599707
[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 92599666
2-(2-fluorophenyl)-1-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]ethanone
CID 92599637
(1-methylpyrazol-4-yl)-[(3S)-3-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
CID 92599311
2-(1,1-dioxothiolan-3-yl)-1-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]ethanone
CID 110217768
(3-methyl-1,2-oxazol-5-yl)-[(3S)-3-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
CID 92553909
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]ethanone
CID 92605521
(5-ethyl-1,2-oxazol-3-yl)-[(3R)-3-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
CID 92589040
1,3-dimethyl-7-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 92631662

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-methyl-4-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidine-1-carbonyl]pyrrolidin-2-one (CID 110217761) is 1-methyl-4-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-4-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-4-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidine-1-carbonyl]pyrrolidin-2-one is Cc1noc2nc(C3CCN(C(=O)C4CC(=O)N(C)C4)CC3)cc(C(F)(F)F)c12.
What is the InChIKey of 1-methyl-4-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is VTLMKTFDKWEHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3/c1-10-16-13(19(20,21)22)8-14(23-17(16)29-24-10)11-3-5-26(6-4-11)18(28)12-7-15(27)25(2)9-12/h8,11-12H,3-7,9H2,1-2H3.
What are the key properties of 1-methyl-4-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
1-methyl-4-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 410.40 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 110217761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).