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

C25H19N5O2 — CID 55702942

IUPAC4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-pyrazol-1-ylphenyl)benzamide
SMILESCc1cccc(-c2nnc(-c3ccc(C(=O)Nc4cccc(-n5cccn5)c4)cc3)o2)c1
InChIInChI=1S/C25H19N5O2/c1-17-5-2-6-20(15-17)25-29-28-24(32-25)19-11-9-18(10-12-19)23(31)27-21-7-3-8-22(16-21)30-14-4-13-26-30/h2-16H,1H3,(H,27,31)
InChIKeyMFKQVDBBKQUEPP-UHFFFAOYSA-N
MW421.46 g/mol
LogP5.15
Rot. Bonds5

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

4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-pyrazol-1-ylphenyl)benzamide (PubChem CID 55702942) has the molecular formula C25H19N5O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-pyrazol-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-pyrazol-1-ylphenyl)benzamide
PubChem CID55702942
Molecular FormulaC25H19N5O2
Molecular Weight421.46 g/mol
Exact Mass421.15
IUPAC Name4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-pyrazol-1-ylphenyl)benzamide
SMILESCc1cccc(-c2nnc(-c3ccc(C(=O)Nc4cccc(-n5cccn5)c4)cc3)o2)c1
InChIInChI=1S/C25H19N5O2/c1-17-5-2-6-20(15-17)25-29-28-24(32-25)19-11-9-18(10-12-19)23(31)27-21-7-3-8-22(16-21)30-14-4-13-26-30/h2-16H,1H3,(H,27,31)
InChIKeyMFKQVDBBKQUEPP-UHFFFAOYSA-N
XLogP5.15
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.46
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 30708165
4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 38076438
N-(3-chloro-4-fluorophenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 30708774
N-[4-(cyclopentylcarbamoyl)phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55820403
N-(3-methylbutan-2-yl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43048902
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 46466143
6-oxo-N-(3-pyrazol-1-ylphenyl)-1H-pyridine-3-carboxamide
CID 60779425
N-(3-pyrazol-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 28809956
N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methylbenzamide
CID 17171702
N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide
CID 55700294
1-(3-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 46387996
3,4,5-triethoxy-N-(3-pyrazol-1-ylphenyl)benzamide
CID 55700576

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-pyrazol-1-ylphenyl)benzamide?
The IUPAC name of 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-pyrazol-1-ylphenyl)benzamide (CID 55702942) is 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-pyrazol-1-ylphenyl)benzamide.
What is the SMILES notation for 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-pyrazol-1-ylphenyl)benzamide?
The canonical SMILES for 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-pyrazol-1-ylphenyl)benzamide is Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4cccc(-n5cccn5)c4)cc3)o2)c1.
What is the InChIKey of 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-pyrazol-1-ylphenyl)benzamide?
The InChIKey is MFKQVDBBKQUEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O2/c1-17-5-2-6-20(15-17)25-29-28-24(32-25)19-11-9-18(10-12-19)23(31)27-21-7-3-8-22(16-21)30-14-4-13-26-30/h2-16H,1H3,(H,27,31).
What are the key properties of 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-pyrazol-1-ylphenyl)benzamide?
4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-pyrazol-1-ylphenyl)benzamide has a molecular weight of 421.46 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-pyrazol-1-ylphenyl)benzamide is sourced from PubChem (CID 55702942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).