1-[4-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone

C20H24F3N3O4 — CID 92601336

IUPAC1-[4-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
SMILESCc1cc(C(F)(F)F)c2c(C3CCN(C(=O)COC[C@@H]4CCCO4)CC3)noc2n1
InChIInChI=1S/C20H24F3N3O4/c1-12-9-15(20(21,22)23)17-18(25-30-19(17)24-12)13-4-6-26(7-5-13)16(27)11-28-10-14-3-2-8-29-14/h9,13-14H,2-8,10-11H2,1H3/t14-/m0/s1
InChIKeyLCHSEBSRFXJLEA-AWEZNQCLSA-N
MW427.42 g/mol
LogP3.45
Rot. Bonds5

About 1-[4-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone

1-[4-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone (PubChem CID 92601336) has the molecular formula C20H24F3N3O4 and a molecular weight of 427.42 g/mol. Its IUPAC name is 1-[4-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone.

Molecular Properties

Compound Name1-[4-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
PubChem CID92601336
Molecular FormulaC20H24F3N3O4
Molecular Weight427.42 g/mol
Exact Mass427.17
IUPAC Name1-[4-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
SMILESCc1cc(C(F)(F)F)c2c(C3CCN(C(=O)COC[C@@H]4CCCO4)CC3)noc2n1
InChIInChI=1S/C20H24F3N3O4/c1-12-9-15(20(21,22)23)17-18(25-30-19(17)24-12)13-4-6-26(7-5-13)16(27)11-28-10-14-3-2-8-29-14/h9,13-14H,2-8,10-11H2,1H3/t14-/m0/s1
InChIKeyLCHSEBSRFXJLEA-AWEZNQCLSA-N
XLogP3.45
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.42
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone with MolForge

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Related Compounds

3-methoxy-1-[4-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]propan-1-one
CID 92601324
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 95290908
cyclopentyl-[(3S)-3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 92601063
[4-(methoxymethyl)phenyl]-[(3S)-3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 92601201
3-(4-methoxyphenyl)-1-[(3S)-3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]propan-1-one
CID 92601102
(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3S)-3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 92588087
(3-ethyl-1,2-oxazol-5-yl)-[(3S)-3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 92589101
1-[4-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 92622482
3-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134802983
[4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone
CID 110235685
1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 95779059
(4-methyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 110235714

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone?
The IUPAC name of 1-[4-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone (CID 92601336) is 1-[4-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone.
What is the SMILES notation for 1-[4-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone?
The canonical SMILES for 1-[4-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone is Cc1cc(C(F)(F)F)c2c(C3CCN(C(=O)COC[C@@H]4CCCO4)CC3)noc2n1.
What is the InChIKey of 1-[4-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone?
The InChIKey is LCHSEBSRFXJLEA-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24F3N3O4/c1-12-9-15(20(21,22)23)17-18(25-30-19(17)24-12)13-4-6-26(7-5-13)16(27)11-28-10-14-3-2-8-29-14/h9,13-14H,2-8,10-11H2,1H3/t14-/m0/s1.
What are the key properties of 1-[4-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone?
1-[4-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone has a molecular weight of 427.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone is sourced from PubChem (CID 92601336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).