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

C27H24N4O4 — CID 55645978

IUPAC[4-(2-hydroxybenzoyl)piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)N3CCN(C(=O)c4ccccc4O)CC3)cc2)o1
InChIInChI=1S/C27H24N4O4/c1-18-6-2-3-7-21(18)25-29-28-24(35-25)19-10-12-20(13-11-19)26(33)30-14-16-31(17-15-30)27(34)22-8-4-5-9-23(22)32/h2-13,32H,14-17H2,1H3
InChIKeyKCODAZNTJSHRSA-UHFFFAOYSA-N
MW468.51 g/mol
LogP4.02
Rot. Bonds4

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

[4-(2-hydroxybenzoyl)piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone (PubChem CID 55645978) has the molecular formula C27H24N4O4 and a molecular weight of 468.51 g/mol. Its IUPAC name is [4-(2-hydroxybenzoyl)piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone.

Molecular Properties

Compound Name[4-(2-hydroxybenzoyl)piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone
PubChem CID55645978
Molecular FormulaC27H24N4O4
Molecular Weight468.51 g/mol
Exact Mass468.18
IUPAC Name[4-(2-hydroxybenzoyl)piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)N3CCN(C(=O)c4ccccc4O)CC3)cc2)o1
InChIInChI=1S/C27H24N4O4/c1-18-6-2-3-7-21(18)25-29-28-24(35-25)19-10-12-20(13-11-19)26(33)30-14-16-31(17-15-30)27(34)22-8-4-5-9-23(22)32/h2-13,32H,14-17H2,1H3
InChIKeyKCODAZNTJSHRSA-UHFFFAOYSA-N
XLogP4.02
TPSA99.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(2-hydroxybenzoyl)piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone with MolForge

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Related Compounds

3-methyl-1-[4-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]butan-1-one
CID 24660929
[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 55503055
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-(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
N-(4-methylphenyl)-2-[4-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]acetamide
CID 24616329
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CID 55503065
N-butyl-N-methyl-1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-4-carboxamide
CID 52666458
[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 24685143
cyclopentyl 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
CID 75402652
(3,5-dimethylpiperidin-1-yl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 5322328
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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxybenzoyl)piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone?
The IUPAC name of [4-(2-hydroxybenzoyl)piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone (CID 55645978) is [4-(2-hydroxybenzoyl)piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone.
What is the SMILES notation for [4-(2-hydroxybenzoyl)piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone?
The canonical SMILES for [4-(2-hydroxybenzoyl)piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone is Cc1ccccc1-c1nnc(-c2ccc(C(=O)N3CCN(C(=O)c4ccccc4O)CC3)cc2)o1.
What is the InChIKey of [4-(2-hydroxybenzoyl)piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone?
The InChIKey is KCODAZNTJSHRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O4/c1-18-6-2-3-7-21(18)25-29-28-24(35-25)19-10-12-20(13-11-19)26(33)30-14-16-31(17-15-30)27(34)22-8-4-5-9-23(22)32/h2-13,32H,14-17H2,1H3.
What are the key properties of [4-(2-hydroxybenzoyl)piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone?
[4-(2-hydroxybenzoyl)piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone has a molecular weight of 468.51 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxybenzoyl)piperazin-1-yl]-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone is sourced from PubChem (CID 55645978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).