(4-hydroxypiperidin-1-yl)-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone

C20H18F3N3O3 — CID 112810042

IUPAC(4-hydroxypiperidin-1-yl)-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
SMILESCc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)N3CCC(O)CC3)c12
InChIInChI=1S/C20H18F3N3O3/c1-11-17-14(19(28)26-8-6-12(27)7-9-26)10-16(24-18(17)29-25-11)13-4-2-3-5-15(13)20(21,22)23/h2-5,10,12,27H,6-9H2,1H3
InChIKeyZIVJCQKRUMIKGN-UHFFFAOYSA-N
MW405.38 g/mol
LogP3.81
Rot. Bonds2

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

(4-hydroxypiperidin-1-yl)-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone (PubChem CID 112810042) has the molecular formula C20H18F3N3O3 and a molecular weight of 405.38 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
PubChem CID112810042
Molecular FormulaC20H18F3N3O3
Molecular Weight405.38 g/mol
Exact Mass405.13
IUPAC Name(4-hydroxypiperidin-1-yl)-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
SMILESCc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)N3CCC(O)CC3)c12
InChIInChI=1S/C20H18F3N3O3/c1-11-17-14(19(28)26-8-6-12(27)7-9-26)10-16(24-18(17)29-25-11)13-4-2-3-5-15(13)20(21,22)23/h2-5,10,12,27H,6-9H2,1H3
InChIKeyZIVJCQKRUMIKGN-UHFFFAOYSA-N
XLogP3.81
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-ethyl-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 75402736
N-[(1R)-1-cyclopropylethyl]-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 33045364
(3-aminopyrrolidin-1-yl)-[6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 75469373
(3-methylsulfonylpyrrolidin-1-yl)-[3-methyl-6-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 146096301
N-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112818170
3-methyl-N-pyridin-3-yl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 36716366
(4-aminopiperidin-1-yl)-[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone;hydrochloride
CID 119373432
N,3-dimethyl-N-(1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55671870
[3-methyl-6-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 146096271
[3-(methoxymethyl)pyrrolidin-1-yl]-[3-methyl-6-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 146089266
3-methyl-N-(1-pyridin-2-ylethyl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55503404
2-[1-[3-methyl-6-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]pyrrolidin-3-yl]acetamide
CID 146088331

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone (CID 112810042) is (4-hydroxypiperidin-1-yl)-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone is Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)N3CCC(O)CC3)c12.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
The InChIKey is ZIVJCQKRUMIKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3/c1-11-17-14(19(28)26-8-6-12(27)7-9-26)10-16(24-18(17)29-25-11)13-4-2-3-5-15(13)20(21,22)23/h2-5,10,12,27H,6-9H2,1H3.
What are the key properties of (4-hydroxypiperidin-1-yl)-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
(4-hydroxypiperidin-1-yl)-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone has a molecular weight of 405.38 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone is sourced from PubChem (CID 112810042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).