[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-[4-(ethoxymethyl)phenyl]methanone

C23H25F2N3O3 — CID 92593141

IUPAC[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-[4-(ethoxymethyl)phenyl]methanone
SMILESCCOCc1ccc(C(=O)N2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)cc1
InChIInChI=1S/C23H25F2N3O3/c1-3-30-13-15-4-6-17(7-5-15)23(29)28-10-8-16(9-11-28)19-12-18(21(24)25)20-14(2)27-31-22(20)26-19/h4-7,12,16,21H,3,8-11,13H2,1-2H3
InChIKeyVGHCCVJUDYHYSN-UHFFFAOYSA-N
MW429.47 g/mol
LogP5.03
Rot. Bonds6

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

[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-[4-(ethoxymethyl)phenyl]methanone (PubChem CID 92593141) has the molecular formula C23H25F2N3O3 and a molecular weight of 429.47 g/mol. Its IUPAC name is [4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-[4-(ethoxymethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-[4-(ethoxymethyl)phenyl]methanone
PubChem CID92593141
Molecular FormulaC23H25F2N3O3
Molecular Weight429.47 g/mol
Exact Mass429.19
IUPAC Name[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-[4-(ethoxymethyl)phenyl]methanone
SMILESCCOCc1ccc(C(=O)N2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)cc1
InChIInChI=1S/C23H25F2N3O3/c1-3-30-13-15-4-6-17(7-5-15)23(29)28-10-8-16(9-11-28)19-12-18(21(24)25)20-14(2)27-31-22(20)26-19/h4-7,12,16,21H,3,8-11,13H2,1-2H3
InChIKeyVGHCCVJUDYHYSN-UHFFFAOYSA-N
XLogP5.03
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.47
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 92599697
1-[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 92599629
4-(difluoromethyl)-6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine
CID 92599755
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-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-[(1S,3S)-3-methoxycyclohexyl]methanone
CID 95849959
(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-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 92599707
(2-tert-butylpyrimidin-5-yl)-[(3S)-3-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
CID 92599292
1-[3-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-3-methoxypropan-1-one
CID 110217709
[4-(ethoxymethyl)phenyl]-[4-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110092279
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

Frequently Asked Questions

What is the IUPAC name of [4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-[4-(ethoxymethyl)phenyl]methanone?
The IUPAC name of [4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-[4-(ethoxymethyl)phenyl]methanone (CID 92593141) is [4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-[4-(ethoxymethyl)phenyl]methanone.
What is the SMILES notation for [4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-[4-(ethoxymethyl)phenyl]methanone?
The canonical SMILES for [4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-[4-(ethoxymethyl)phenyl]methanone is CCOCc1ccc(C(=O)N2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)cc1.
What is the InChIKey of [4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-[4-(ethoxymethyl)phenyl]methanone?
The InChIKey is VGHCCVJUDYHYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O3/c1-3-30-13-15-4-6-17(7-5-15)23(29)28-10-8-16(9-11-28)19-12-18(21(24)25)20-14(2)27-31-22(20)26-19/h4-7,12,16,21H,3,8-11,13H2,1-2H3.
What are the key properties of [4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-[4-(ethoxymethyl)phenyl]methanone?
[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-[4-(ethoxymethyl)phenyl]methanone has a molecular weight of 429.47 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-[4-(ethoxymethyl)phenyl]methanone is sourced from PubChem (CID 92593141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).