[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone

C20H19ClN4O2 — CID 110391263

IUPAC[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3nnc(-c4ccccc4Cl)o3)CC2)c1
InChIInChI=1S/C20H19ClN4O2/c1-14-5-4-6-15(13-14)24-9-11-25(12-10-24)20(26)19-23-22-18(27-19)16-7-2-3-8-17(16)21/h2-8,13H,9-12H2,1H3
InChIKeyKNXMYUPCEULWEN-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.66
Rot. Bonds3

About [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone

[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone (PubChem CID 110391263) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
PubChem CID110391263
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3nnc(-c4ccccc4Cl)o3)CC2)c1
InChIInChI=1S/C20H19ClN4O2/c1-14-5-4-6-15(13-14)24-9-11-25(12-10-24)20(26)19-23-22-18(27-19)16-7-2-3-8-17(16)21/h2-8,13H,9-12H2,1H3
InChIKeyKNXMYUPCEULWEN-UHFFFAOYSA-N
XLogP3.66
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 110391253
[5-(2-chlorophenyl)furan-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanethione
CID 1292490
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110391259
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 110391904
5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 23358700
[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295146
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
[4-(3-methylphenyl)piperazin-1-yl]-(1-phenyltriazol-4-yl)methanone
CID 46407910
[3-(2-chlorophenyl)-1-(3-methylphenyl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 3878165
[4-(3-methylphenyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 27049072
[6-(azepan-1-yl)pyridazin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109123948
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 110390931

Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone (CID 110391263) is [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)c3nnc(-c4ccccc4Cl)o3)CC2)c1.
What is the InChIKey of [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is KNXMYUPCEULWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-14-5-4-6-15(13-14)24-9-11-25(12-10-24)20(26)19-23-22-18(27-19)16-7-2-3-8-17(16)21/h2-8,13H,9-12H2,1H3.
What are the key properties of [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 382.85 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110391263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).