2-(4-chlorophenyl)-5-[(R)-(4-cyclohexylpiperazin-1-yl)-phenylmethyl]-1,3,4-oxadiazole

C25H29ClN4O — CID 92724533

IUPAC2-(4-chlorophenyl)-5-[(R)-(4-cyclohexylpiperazin-1-yl)-phenylmethyl]-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc([C@@H](c3ccccc3)N3CCN(C4CCCCC4)CC3)o2)cc1
InChIInChI=1S/C25H29ClN4O/c26-21-13-11-20(12-14-21)24-27-28-25(31-24)23(19-7-3-1-4-8-19)30-17-15-29(16-18-30)22-9-5-2-6-10-22/h1,3-4,7-8,11-14,22-23H,2,5-6,9-10,15-18H2/t23-/m1/s1
InChIKeyXZNIKDSLBZZBCX-HSZRJFAPSA-N
MW436.99 g/mol
LogP5.43
Rot. Bonds5

About 2-(4-chlorophenyl)-5-[(R)-(4-cyclohexylpiperazin-1-yl)-phenylmethyl]-1,3,4-oxadiazole

2-(4-chlorophenyl)-5-[(R)-(4-cyclohexylpiperazin-1-yl)-phenylmethyl]-1,3,4-oxadiazole (PubChem CID 92724533) has the molecular formula C25H29ClN4O and a molecular weight of 436.99 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[(R)-(4-cyclohexylpiperazin-1-yl)-phenylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[(R)-(4-cyclohexylpiperazin-1-yl)-phenylmethyl]-1,3,4-oxadiazole
PubChem CID92724533
Molecular FormulaC25H29ClN4O
Molecular Weight436.99 g/mol
Exact Mass436.20
IUPAC Name2-(4-chlorophenyl)-5-[(R)-(4-cyclohexylpiperazin-1-yl)-phenylmethyl]-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc([C@@H](c3ccccc3)N3CCN(C4CCCCC4)CC3)o2)cc1
InChIInChI=1S/C25H29ClN4O/c26-21-13-11-20(12-14-21)24-27-28-25(31-24)23(19-7-3-1-4-8-19)30-17-15-29(16-18-30)22-9-5-2-6-10-22/h1,3-4,7-8,11-14,22-23H,2,5-6,9-10,15-18H2/t23-/m1/s1
InChIKeyXZNIKDSLBZZBCX-HSZRJFAPSA-N
XLogP5.43
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.99
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(S)-(4-bromophenyl)-(4-cyclohexylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 92719968
2-(4-chlorophenyl)-5-[(R)-[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]-1,3,4-oxadiazole
CID 92724535
1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-cyclopentylpiperazine
CID 3209706
1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine
CID 1443494
1-[(R)-(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine
CID 1449106
8-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 27162530
1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclohexylpiperazine;deuteriomethane
CID 167662608
1-[(4-chlorophenyl)-(2,4-dichlorophenyl)methyl]-4-cyclohexylpiperazine
CID 141173995
1-[(S)-(4-chlorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-4-cyclohexylpiperazine
CID 1448484
N-benzyl-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-cyclohexyl-N-methylmethanamine
CID 71573795
2-[(S)-(4-bromophenyl)-(4-ethylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 92734452
N-[(3-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine
CID 22432864

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[(R)-(4-cyclohexylpiperazin-1-yl)-phenylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[(R)-(4-cyclohexylpiperazin-1-yl)-phenylmethyl]-1,3,4-oxadiazole (CID 92724533) is 2-(4-chlorophenyl)-5-[(R)-(4-cyclohexylpiperazin-1-yl)-phenylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[(R)-(4-cyclohexylpiperazin-1-yl)-phenylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[(R)-(4-cyclohexylpiperazin-1-yl)-phenylmethyl]-1,3,4-oxadiazole is Clc1ccc(-c2nnc([C@@H](c3ccccc3)N3CCN(C4CCCCC4)CC3)o2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[(R)-(4-cyclohexylpiperazin-1-yl)-phenylmethyl]-1,3,4-oxadiazole?
The InChIKey is XZNIKDSLBZZBCX-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H29ClN4O/c26-21-13-11-20(12-14-21)24-27-28-25(31-24)23(19-7-3-1-4-8-19)30-17-15-29(16-18-30)22-9-5-2-6-10-22/h1,3-4,7-8,11-14,22-23H,2,5-6,9-10,15-18H2/t23-/m1/s1.
What are the key properties of 2-(4-chlorophenyl)-5-[(R)-(4-cyclohexylpiperazin-1-yl)-phenylmethyl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-[(R)-(4-cyclohexylpiperazin-1-yl)-phenylmethyl]-1,3,4-oxadiazole has a molecular weight of 436.99 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[(R)-(4-cyclohexylpiperazin-1-yl)-phenylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 92724533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).