6-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine

C21H22F3N3O2 — CID 92599770

IUPAC6-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCOc1ccccc1CN1CCC(c2cc(C(F)(F)F)c3c(C)noc3n2)CC1
InChIInChI=1S/C21H22F3N3O2/c1-13-19-16(21(22,23)24)11-17(25-20(19)29-26-13)14-7-9-27(10-8-14)12-15-5-3-4-6-18(15)28-2/h3-6,11,14H,7-10,12H2,1-2H3
InChIKeyPBSLZSKWUZCCRF-UHFFFAOYSA-N
MW405.42 g/mol
LogP4.94
Rot. Bonds4

About 6-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine

6-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 92599770) has the molecular formula C21H22F3N3O2 and a molecular weight of 405.42 g/mol. Its IUPAC name is 6-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
PubChem CID92599770
Molecular FormulaC21H22F3N3O2
Molecular Weight405.42 g/mol
Exact Mass405.17
IUPAC Name6-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCOc1ccccc1CN1CCC(c2cc(C(F)(F)F)c3c(C)noc3n2)CC1
InChIInChI=1S/C21H22F3N3O2/c1-13-19-16(21(22,23)24)11-17(25-20(19)29-26-13)14-7-9-27(10-8-14)12-15-5-3-4-6-18(15)28-2/h3-6,11,14H,7-10,12H2,1-2H3
InChIKeyPBSLZSKWUZCCRF-UHFFFAOYSA-N
XLogP4.94
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenyl)-1-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]ethanone
CID 92599637
cyclopropyl-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
CID 92599471
4-(difluoromethyl)-6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine
CID 92599755
[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 92599707
[(1R,2R)-2-methylcyclopropyl]-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
CID 92599482
4-(difluoromethyl)-6-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine
CID 110218683
1-[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 92599610
4-(difluoromethyl)-6-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine
CID 92599356
[5-[[4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-2-methoxyphenyl]methanol
CID 92588740
3-methyl-5-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 128970661
(2-methoxy-4-pyridinyl)-[(3S)-3-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
CID 92599263
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

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 6-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine (CID 92599770) is 6-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 6-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 6-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine is COc1ccccc1CN1CCC(c2cc(C(F)(F)F)c3c(C)noc3n2)CC1.
What is the InChIKey of 6-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is PBSLZSKWUZCCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O2/c1-13-19-16(21(22,23)24)11-17(25-20(19)29-26-13)14-7-9-27(10-8-14)12-15-5-3-4-6-18(15)28-2/h3-6,11,14H,7-10,12H2,1-2H3.
What are the key properties of 6-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
6-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 405.42 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 92599770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).