N-[4-(cyclopentylcarbamoyl)phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C28H26N4O3 — CID 55820403

IUPACN-[4-(cyclopentylcarbamoyl)phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ccc(C(=O)NC5CCCC5)cc4)cc3)o2)c1
InChIInChI=1S/C28H26N4O3/c1-18-5-4-6-22(17-18)28-32-31-27(35-28)21-11-9-19(10-12-21)25(33)30-24-15-13-20(14-16-24)26(34)29-23-7-2-3-8-23/h4-6,9-17,23H,2-3,7-8H2,1H3,(H,29,34)(H,30,33)
InChIKeyLGZYNGGDIVXACC-UHFFFAOYSA-N
MW466.54 g/mol
LogP5.64
Rot. Bonds6

About N-[4-(cyclopentylcarbamoyl)phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

N-[4-(cyclopentylcarbamoyl)phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 55820403) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-[4-(cyclopentylcarbamoyl)phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(cyclopentylcarbamoyl)phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID55820403
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC NameN-[4-(cyclopentylcarbamoyl)phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ccc(C(=O)NC5CCCC5)cc4)cc3)o2)c1
InChIInChI=1S/C28H26N4O3/c1-18-5-4-6-22(17-18)28-32-31-27(35-28)21-11-9-19(10-12-21)25(33)30-24-15-13-20(14-16-24)26(34)29-23-7-2-3-8-23/h4-6,9-17,23H,2-3,7-8H2,1H3,(H,29,34)(H,30,33)
InChIKeyLGZYNGGDIVXACC-UHFFFAOYSA-N
XLogP5.64
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 30708165
1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109044466
N-(3-chloro-4-fluorophenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 30708774
N-cycloheptyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 26002230
N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methylbenzamide
CID 17171702
N-cyclopentyl-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50776980
N-cyclopentyl-3-[(4-methylbenzoyl)amino]benzamide
CID 2221852
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 46466143
N-cyclopentyl-4-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzamide
CID 46386260
1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109043347
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 38040917
N-cyclopropyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 110693154

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopentylcarbamoyl)phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of N-[4-(cyclopentylcarbamoyl)phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 55820403) is N-[4-(cyclopentylcarbamoyl)phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-(cyclopentylcarbamoyl)phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for N-[4-(cyclopentylcarbamoyl)phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ccc(C(=O)NC5CCCC5)cc4)cc3)o2)c1.
What is the InChIKey of N-[4-(cyclopentylcarbamoyl)phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is LGZYNGGDIVXACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c1-18-5-4-6-22(17-18)28-32-31-27(35-28)21-11-9-19(10-12-21)25(33)30-24-15-13-20(14-16-24)26(34)29-23-7-2-3-8-23/h4-6,9-17,23H,2-3,7-8H2,1H3,(H,29,34)(H,30,33).
What are the key properties of N-[4-(cyclopentylcarbamoyl)phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
N-[4-(cyclopentylcarbamoyl)phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 466.54 g/mol, XLogP of 5.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopentylcarbamoyl)phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 55820403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).