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

C24H20ClN3O2 — CID 4538481

IUPAC[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)N1CCC(c2nc(-c3cccc(Cl)c3)no2)CC1
InChIInChI=1S/C24H20ClN3O2/c25-19-8-3-7-18(15-19)22-26-23(30-27-22)17-11-13-28(14-12-17)24(29)21-10-4-6-16-5-1-2-9-20(16)21/h1-10,15,17H,11-14H2
InChIKeyBEVZOEYRHRBOOG-UHFFFAOYSA-N
MW417.90 g/mol
LogP5.56
Rot. Bonds3

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

[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-1-ylmethanone (PubChem CID 4538481) has the molecular formula C24H20ClN3O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is [4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-1-ylmethanone
PubChem CID4538481
Molecular FormulaC24H20ClN3O2
Molecular Weight417.90 g/mol
Exact Mass417.12
IUPAC Name[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)N1CCC(c2nc(-c3cccc(Cl)c3)no2)CC1
InChIInChI=1S/C24H20ClN3O2/c25-19-8-3-7-18(15-19)22-26-23(30-27-22)17-11-13-28(14-12-17)24(29)21-10-4-6-16-5-1-2-9-20(16)21/h1-10,15,17H,11-14H2
InChIKeyBEVZOEYRHRBOOG-UHFFFAOYSA-N
XLogP5.56
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.90
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 42760505
[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopentylmethanone
CID 4538482
1-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]octan-1-one
CID 3589573
[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2,4-dichlorophenyl)methanone
CID 42760543
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 71456522
3-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]chromen-2-one
CID 53051462
N-(3-chloro-4-fluorophenyl)-4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 3347014
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]butan-1-one
CID 121095144
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 121095143
[4-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 46096552
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylbutan-1-one
CID 42760477
[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone
CID 7216459

Frequently Asked Questions

What is the IUPAC name of [4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-1-ylmethanone (CID 4538481) is [4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-1-ylmethanone is O=C(c1cccc2ccccc12)N1CCC(c2nc(-c3cccc(Cl)c3)no2)CC1.
What is the InChIKey of [4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is BEVZOEYRHRBOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O2/c25-19-8-3-7-18(15-19)22-26-23(30-27-22)17-11-13-28(14-12-17)24(29)21-10-4-6-16-5-1-2-9-20(16)21/h1-10,15,17H,11-14H2.
What are the key properties of [4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-1-ylmethanone?
[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 417.90 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 4538481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).