[(1R,2R)-2-methylcyclopropyl]-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone

C18H20F3N3O2 — CID 92599482

IUPAC[(1R,2R)-2-methylcyclopropyl]-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
SMILESCc1noc2nc(C3CCN(C(=O)[C@@H]4C[C@H]4C)CC3)cc(C(F)(F)F)c12
InChIInChI=1S/C18H20F3N3O2/c1-9-7-12(9)17(25)24-5-3-11(4-6-24)14-8-13(18(19,20)21)15-10(2)23-26-16(15)22-14/h8-9,11-12H,3-7H2,1-2H3/t9-,12-/m1/s1
InChIKeyLWOPAZZMHJFVIH-BXKDBHETSA-N
MW367.37 g/mol
LogP3.91
Rot. Bonds2

About [(1R,2R)-2-methylcyclopropyl]-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone

[(1R,2R)-2-methylcyclopropyl]-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone (PubChem CID 92599482) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is [(1R,2R)-2-methylcyclopropyl]-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2R)-2-methylcyclopropyl]-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
PubChem CID92599482
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC Name[(1R,2R)-2-methylcyclopropyl]-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
SMILESCc1noc2nc(C3CCN(C(=O)[C@@H]4C[C@H]4C)CC3)cc(C(F)(F)F)c12
InChIInChI=1S/C18H20F3N3O2/c1-9-7-12(9)17(25)24-5-3-11(4-6-24)14-8-13(18(19,20)21)15-10(2)23-26-16(15)22-14/h8-9,11-12H,3-7H2,1-2H3/t9-,12-/m1/s1
InChIKeyLWOPAZZMHJFVIH-BXKDBHETSA-N
XLogP3.91
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1R,2R)-2-methylcyclopropyl]-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone with MolForge

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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
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
[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
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
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
(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
(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
(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
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[(3R)-3-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]ethanone
CID 92597815
(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

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-methylcyclopropyl]-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone?
The IUPAC name of [(1R,2R)-2-methylcyclopropyl]-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone (CID 92599482) is [(1R,2R)-2-methylcyclopropyl]-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [(1R,2R)-2-methylcyclopropyl]-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone?
The canonical SMILES for [(1R,2R)-2-methylcyclopropyl]-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone is Cc1noc2nc(C3CCN(C(=O)[C@@H]4C[C@H]4C)CC3)cc(C(F)(F)F)c12.
What is the InChIKey of [(1R,2R)-2-methylcyclopropyl]-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone?
The InChIKey is LWOPAZZMHJFVIH-BXKDBHETSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c1-9-7-12(9)17(25)24-5-3-11(4-6-24)14-8-13(18(19,20)21)15-10(2)23-26-16(15)22-14/h8-9,11-12H,3-7H2,1-2H3/t9-,12-/m1/s1.
What are the key properties of [(1R,2R)-2-methylcyclopropyl]-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone?
[(1R,2R)-2-methylcyclopropyl]-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone has a molecular weight of 367.37 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-methylcyclopropyl]-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 92599482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).