[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-2-ylmethanone

C25H23N3O3 — CID 4202280

IUPAC[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-2-ylmethanone
SMILESCOc1ccc(-c2noc(C3CCCCN3C(=O)c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C25H23N3O3/c1-30-21-13-11-18(12-14-21)23-26-24(31-27-23)22-8-4-5-15-28(22)25(29)20-10-9-17-6-2-3-7-19(17)16-20/h2-3,6-7,9-14,16,22H,4-5,8,15H2,1H3
InChIKeyINVOMAXDJYIRSI-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.27
Rot. Bonds4

About [2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-2-ylmethanone

[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-2-ylmethanone (PubChem CID 4202280) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is [2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-2-ylmethanone
PubChem CID4202280
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-2-ylmethanone
SMILESCOc1ccc(-c2noc(C3CCCCN3C(=O)c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C25H23N3O3/c1-30-21-13-11-18(12-14-21)23-26-24(31-27-23)22-8-4-5-15-28(22)25(29)20-10-9-17-6-2-3-7-19(17)16-20/h2-3,6-7,9-14,16,22H,4-5,8,15H2,1H3
InChIKeyINVOMAXDJYIRSI-UHFFFAOYSA-N
XLogP5.27
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-naphthalen-2-ylmethanone
CID 42765232
[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-2-ylmethanone
CID 4241669
[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-phenylmethanone
CID 813034
(4-methoxyphenyl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 813074
[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-naphthalen-2-ylmethanone
CID 3466347
(2-fluorophenyl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 42760418
(3-fluorophenyl)-[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 7236954
(3,5-dimethylphenyl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 75527838
(4-fluorophenyl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 4258624
[3,5-bis(trifluoromethyl)phenyl]-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 42760422
1-[(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 812478
4-[(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]benzonitrile
CID 91916591

Frequently Asked Questions

What is the IUPAC name of [2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-2-ylmethanone (CID 4202280) is [2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-2-ylmethanone is COc1ccc(-c2noc(C3CCCCN3C(=O)c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of [2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-2-ylmethanone?
The InChIKey is INVOMAXDJYIRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-30-21-13-11-18(12-14-21)23-26-24(31-27-23)22-8-4-5-15-28(22)25(29)20-10-9-17-6-2-3-7-19(17)16-20/h2-3,6-7,9-14,16,22H,4-5,8,15H2,1H3.
What are the key properties of [2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-2-ylmethanone?
[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-2-ylmethanone has a molecular weight of 413.48 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 4202280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).