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

C19H17ClN4O2 — CID 110391253

IUPAC[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1nnc(-c2ccccc2Cl)o1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H17ClN4O2/c20-16-9-5-4-8-15(16)17-21-22-18(26-17)19(25)24-12-10-23(11-13-24)14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeyRAJMSXVYLVHAMJ-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.35
Rot. Bonds3

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

[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 110391253) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID110391253
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1nnc(-c2ccccc2Cl)o1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H17ClN4O2/c20-16-9-5-4-8-15(16)17-21-22-18(26-17)19(25)24-12-10-23(11-13-24)14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeyRAJMSXVYLVHAMJ-UHFFFAOYSA-N
XLogP3.35
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110391263
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110391259
5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 23358700
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 110390931
(5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone
CID 110390874
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 1050462
(4-benzylpiperazin-1-yl)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 110392272
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 110391904
(5-phenyl-1,3,4-oxadiazol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110390914
[2-(2-chlorophenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 1023295
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]acetamide
CID 3249670
(2-chlorophenyl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110416623

Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-phenylpiperazin-1-yl)methanone (CID 110391253) is [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1nnc(-c2ccccc2Cl)o1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is RAJMSXVYLVHAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c20-16-9-5-4-8-15(16)17-21-22-18(26-17)19(25)24-12-10-23(11-13-24)14-6-2-1-3-7-14/h1-9H,10-13H2.
What are the key properties of [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-phenylpiperazin-1-yl)methanone?
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 368.82 g/mol, XLogP of 3.35, 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-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 110391253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).