[5-[(2-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone

C22H22ClFN4O2 — CID 22432241

IUPAC[5-[(2-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1ccc(C)c(N2CCN(C(=O)c3nnc(Cc4ccc(F)cc4Cl)o3)CC2)c1
InChIInChI=1S/C22H22ClFN4O2/c1-14-3-4-15(2)19(11-14)27-7-9-28(10-8-27)22(29)21-26-25-20(30-21)12-16-5-6-17(24)13-18(16)23/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeyUENOXPOMMAQOLL-UHFFFAOYSA-N
MW428.90 g/mol
LogP4.03
Rot. Bonds4

About [5-[(2-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone

[5-[(2-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone (PubChem CID 22432241) has the molecular formula C22H22ClFN4O2 and a molecular weight of 428.90 g/mol. Its IUPAC name is [5-[(2-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(2-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
PubChem CID22432241
Molecular FormulaC22H22ClFN4O2
Molecular Weight428.90 g/mol
Exact Mass428.14
IUPAC Name[5-[(2-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1ccc(C)c(N2CCN(C(=O)c3nnc(Cc4ccc(F)cc4Cl)o3)CC2)c1
InChIInChI=1S/C22H22ClFN4O2/c1-14-3-4-15(2)19(11-14)27-7-9-28(10-8-27)22(29)21-26-25-20(30-21)12-16-5-6-17(24)13-18(16)23/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeyUENOXPOMMAQOLL-UHFFFAOYSA-N
XLogP4.03
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.90
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431765
3-[(2-chloro-4-fluorophenyl)methylsulfonylmethyl]-7-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one
CID 23821718
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]methanone
CID 42211682
(5-chloro-2-methoxyphenyl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 71822598
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 110392830
2-(2,4-dichlorophenyl)-1-[3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 42877098
(6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 87051170
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 113075462
N-(3,4-dichlorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 17171501
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]methanone
CID 91890743
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 1448805
5-[(2-chloro-6-fluorophenyl)methyl]-N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide
CID 23004473

Frequently Asked Questions

What is the IUPAC name of [5-[(2-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-[(2-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone (CID 22432241) is [5-[(2-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-[(2-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-[(2-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone is Cc1ccc(C)c(N2CCN(C(=O)c3nnc(Cc4ccc(F)cc4Cl)o3)CC2)c1.
What is the InChIKey of [5-[(2-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone?
The InChIKey is UENOXPOMMAQOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN4O2/c1-14-3-4-15(2)19(11-14)27-7-9-28(10-8-27)22(29)21-26-25-20(30-21)12-16-5-6-17(24)13-18(16)23/h3-6,11,13H,7-10,12H2,1-2H3.
What are the key properties of [5-[(2-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone?
[5-[(2-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone has a molecular weight of 428.90 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 22432241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).