1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(1-methylpiperidin-4-yl)ethanone

C20H23F2N3O2 — CID 169417933

IUPAC1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(1-methylpiperidin-4-yl)ethanone
SMILESCN1CCC(CC(=O)N2CCc3oc(-c4cc(F)cc(F)c4)nc3C2)CC1
InChIInChI=1S/C20H23F2N3O2/c1-24-5-2-13(3-6-24)8-19(26)25-7-4-18-17(12-25)23-20(27-18)14-9-15(21)11-16(22)10-14/h9-11,13H,2-8,12H2,1H3
InChIKeyFFITZARMTOJCRB-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.24
Rot. Bonds3

About 1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(1-methylpiperidin-4-yl)ethanone

1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(1-methylpiperidin-4-yl)ethanone (PubChem CID 169417933) has the molecular formula C20H23F2N3O2 and a molecular weight of 375.42 g/mol. Its IUPAC name is 1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(1-methylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(1-methylpiperidin-4-yl)ethanone
PubChem CID169417933
Molecular FormulaC20H23F2N3O2
Molecular Weight375.42 g/mol
Exact Mass375.18
IUPAC Name1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(1-methylpiperidin-4-yl)ethanone
SMILESCN1CCC(CC(=O)N2CCc3oc(-c4cc(F)cc(F)c4)nc3C2)CC1
InChIInChI=1S/C20H23F2N3O2/c1-24-5-2-13(3-6-24)8-19(26)25-7-4-18-17(12-25)23-20(27-18)14-9-15(21)11-16(22)10-14/h9-11,13H,2-8,12H2,1H3
InChIKeyFFITZARMTOJCRB-UHFFFAOYSA-N
XLogP3.24
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(1-methylpiperidin-4-yl)ethanone with MolForge

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Related Compounds

(3-chloro-5-fluorophenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 74221950
(3-chlorophenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 74222037
N-{2-[ethyl(phenyl)amino]ethyl}-1-{[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carboxamide
CID 3238586
[4-(4-Fluorophenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 2572028
N-Benzyl-4-{4-[(2,3-dihydro-1H-indol-1-YL)methyl]-5-methyl-1,3-oxazol-2-YL}-N-methylbenzamide
CID 16029477
4-[4-(4-Fluoro-phenyl)-2-(1-methyl-piperidin-4-yl)-oxazol-5-yl]-pyridine
CID 44399530
(3R,5S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-5-phenylpiperidine-3-carboxamide
CID 53233019
(3S,5S)-5-ethyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 54584609
2-(2-Fluorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
CID 940212
4-[[5-Methyl-2-[3-(trifluoromethyl)phenyl]-4-oxazolyl]methyl]morpholine
CID 16187589
5-methyl-2-phenyl[1,3]oxazolo[4,5-c]quinolin-4(5H)-one
CID 2786572
1-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 3237063

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(1-methylpiperidin-4-yl)ethanone?
The IUPAC name of 1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(1-methylpiperidin-4-yl)ethanone (CID 169417933) is 1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(1-methylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(1-methylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(1-methylpiperidin-4-yl)ethanone is CN1CCC(CC(=O)N2CCc3oc(-c4cc(F)cc(F)c4)nc3C2)CC1.
What is the InChIKey of 1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(1-methylpiperidin-4-yl)ethanone?
The InChIKey is FFITZARMTOJCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O2/c1-24-5-2-13(3-6-24)8-19(26)25-7-4-18-17(12-25)23-20(27-18)14-9-15(21)11-16(22)10-14/h9-11,13H,2-8,12H2,1H3.
What are the key properties of 1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(1-methylpiperidin-4-yl)ethanone?
1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(1-methylpiperidin-4-yl)ethanone has a molecular weight of 375.42 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(1-methylpiperidin-4-yl)ethanone is sourced from PubChem (CID 169417933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).