1-[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone

C22H23F2N3O4 — CID 92599610

IUPAC1-[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
SMILESCOc1ccccc1OCC(=O)N1CCC(c2cc(C(F)F)c3c(C)noc3n2)CC1
InChIInChI=1S/C22H23F2N3O4/c1-13-20-15(21(23)24)11-16(25-22(20)31-26-13)14-7-9-27(10-8-14)19(28)12-30-18-6-4-3-5-17(18)29-2/h3-6,11,14,21H,7-10,12H2,1-2H3
InChIKeyCZMUOKZDZCGYSP-UHFFFAOYSA-N
MW431.44 g/mol
LogP4.26
Rot. Bonds6

About 1-[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone

1-[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone (PubChem CID 92599610) has the molecular formula C22H23F2N3O4 and a molecular weight of 431.44 g/mol. Its IUPAC name is 1-[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
PubChem CID92599610
Molecular FormulaC22H23F2N3O4
Molecular Weight431.44 g/mol
Exact Mass431.17
IUPAC Name1-[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
SMILESCOc1ccccc1OCC(=O)N1CCC(c2cc(C(F)F)c3c(C)noc3n2)CC1
InChIInChI=1S/C22H23F2N3O4/c1-13-20-15(21(23)24)11-16(25-22(20)31-26-13)14-7-9-27(10-8-14)19(28)12-30-18-6-4-3-5-17(18)29-2/h3-6,11,14,21H,7-10,12H2,1-2H3
InChIKeyCZMUOKZDZCGYSP-UHFFFAOYSA-N
XLogP4.26
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 110217725
1-[(3R)-3-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-2-(2-methoxy-4-methylphenoxy)ethanone
CID 92556322
1-[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 92599629
(3S)-1-[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)butan-1-one
CID 92599511
[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 92599697
4-(difluoromethyl)-6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine
CID 92599755
[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-[4-(ethoxymethyl)phenyl]methanone
CID 92593141
[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-[(1S,3S)-3-methoxycyclohexyl]methanone
CID 95849959
6-cyclopropyl-N-[2-(2-methoxyphenoxy)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 26063473
4-(difluoromethyl)-6-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine
CID 110218683
4-(difluoromethyl)-6-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine
CID 92599356
2-(2-fluorophenyl)-1-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]ethanone
CID 92599637

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone?
The IUPAC name of 1-[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone (CID 92599610) is 1-[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone?
The canonical SMILES for 1-[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone is COc1ccccc1OCC(=O)N1CCC(c2cc(C(F)F)c3c(C)noc3n2)CC1.
What is the InChIKey of 1-[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone?
The InChIKey is CZMUOKZDZCGYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O4/c1-13-20-15(21(23)24)11-16(25-22(20)31-26-13)14-7-9-27(10-8-14)19(28)12-30-18-6-4-3-5-17(18)29-2/h3-6,11,14,21H,7-10,12H2,1-2H3.
What are the key properties of 1-[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone?
1-[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone has a molecular weight of 431.44 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone is sourced from PubChem (CID 92599610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).