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

C20H18ClN3O2 — CID 50779143

IUPAC[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1)N1CCCCC1
InChIInChI=1S/C20H18ClN3O2/c21-17-9-7-14(8-10-17)19-22-18(23-26-19)15-5-4-6-16(13-15)20(25)24-11-2-1-3-12-24/h4-10,13H,1-3,11-12H2
InChIKeyOEUXKMBCRKHRHF-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.68
Rot. Bonds3

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

[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone (PubChem CID 50779143) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is [3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
PubChem CID50779143
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1)N1CCCCC1
InChIInChI=1S/C20H18ClN3O2/c21-17-9-7-14(8-10-17)19-22-18(23-26-19)15-5-4-6-16(13-15)20(25)24-11-2-1-3-12-24/h4-10,13H,1-3,11-12H2
InChIKeyOEUXKMBCRKHRHF-UHFFFAOYSA-N
XLogP4.68
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[5-(5-bromofuran-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
CID 46321651
piperidin-1-yl-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 46321655
N-[2-methyl-5-[3-[3-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 50779162
[3-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
CID 46321657
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 50828633
[3-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone
CID 50778885
[3-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone
CID 50779040
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 53327739
3-[5-[4-[(4-chlorophenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 11486592
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 20973307
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 50828707
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488

Frequently Asked Questions

What is the IUPAC name of [3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone (CID 50779143) is [3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone is O=C(c1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1)N1CCCCC1.
What is the InChIKey of [3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is OEUXKMBCRKHRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-17-9-7-14(8-10-17)19-22-18(23-26-19)15-5-4-6-16(13-15)20(25)24-11-2-1-3-12-24/h4-10,13H,1-3,11-12H2.
What are the key properties of [3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone?
[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 367.84 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 50779143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).