[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone

C27H24ClFN4O2 — CID 55503065

IUPAC[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)N3CCN(Cc4c(F)cccc4Cl)CC3)cc2)o1
InChIInChI=1S/C27H24ClFN4O2/c1-18-5-2-3-6-21(18)26-31-30-25(35-26)19-9-11-20(12-10-19)27(34)33-15-13-32(14-16-33)17-22-23(28)7-4-8-24(22)29/h2-12H,13-17H2,1H3
InChIKeyLPCXEORUARTMPR-UHFFFAOYSA-N
MW490.97 g/mol
LogP5.46
Rot. Bonds5

About [4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone

[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone (PubChem CID 55503065) has the molecular formula C27H24ClFN4O2 and a molecular weight of 490.97 g/mol. Its IUPAC name is [4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone.

Molecular Properties

Compound Name[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone
PubChem CID55503065
Molecular FormulaC27H24ClFN4O2
Molecular Weight490.97 g/mol
Exact Mass490.16
IUPAC Name[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)N3CCN(Cc4c(F)cccc4Cl)CC3)cc2)o1
InChIInChI=1S/C27H24ClFN4O2/c1-18-5-2-3-6-21(18)26-31-30-25(35-26)19-9-11-20(12-10-19)27(34)33-15-13-32(14-16-33)17-22-23(28)7-4-8-24(22)29/h2-12H,13-17H2,1H3
InChIKeyLPCXEORUARTMPR-UHFFFAOYSA-N
XLogP5.46
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.97
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 30536633
[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 43048457
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(4-chlorophenyl)methanone
CID 19329498
[4-(2-hydroxybenzoyl)piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone
CID 55645978
N-(4-methylphenyl)-2-[4-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]acetamide
CID 24616329
3-methyl-1-[4-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]butan-1-one
CID 24660929
N-methyl-1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-4-carboxamide
CID 47021153
[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 55503055
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 19329449
N-[4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 46510071
[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19329427
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 29096865

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone?
The IUPAC name of [4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone (CID 55503065) is [4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone.
What is the SMILES notation for [4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone?
The canonical SMILES for [4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone is Cc1ccccc1-c1nnc(-c2ccc(C(=O)N3CCN(Cc4c(F)cccc4Cl)CC3)cc2)o1.
What is the InChIKey of [4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone?
The InChIKey is LPCXEORUARTMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClFN4O2/c1-18-5-2-3-6-21(18)26-31-30-25(35-26)19-9-11-20(12-10-19)27(34)33-15-13-32(14-16-33)17-22-23(28)7-4-8-24(22)29/h2-12H,13-17H2,1H3.
What are the key properties of [4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone?
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone has a molecular weight of 490.97 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone is sourced from PubChem (CID 55503065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).