N-[4-[5-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]benzamide

C26H21N5O3 — CID 162664109

IUPACN-[4-[5-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]benzamide
SMILESCOc1ccc(-c2cc(-c3nnc(C)o3)nn2-c2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H21N5O3/c1-17-28-29-26(34-17)23-16-24(18-8-14-22(33-2)15-9-18)31(30-23)21-12-10-20(11-13-21)27-25(32)19-6-4-3-5-7-19/h3-16H,1-2H3,(H,27,32)
InChIKeyVKSSMRNHLXEZJK-UHFFFAOYSA-N
MW451.49 g/mol
LogP5.16
Rot. Bonds6

About N-[4-[5-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]benzamide

N-[4-[5-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]benzamide (PubChem CID 162664109) has the molecular formula C26H21N5O3 and a molecular weight of 451.49 g/mol. Its IUPAC name is N-[4-[5-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[5-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]benzamide
PubChem CID162664109
Molecular FormulaC26H21N5O3
Molecular Weight451.49 g/mol
Exact Mass451.16
IUPAC NameN-[4-[5-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]benzamide
SMILESCOc1ccc(-c2cc(-c3nnc(C)o3)nn2-c2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H21N5O3/c1-17-28-29-26(34-17)23-16-24(18-8-14-22(33-2)15-9-18)31(30-23)21-12-10-20(11-13-21)27-25(32)19-6-4-3-5-7-19/h3-16H,1-2H3,(H,27,32)
InChIKeyVKSSMRNHLXEZJK-UHFFFAOYSA-N
XLogP5.16
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.49
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[5-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]benzamide with MolForge

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Related Compounds

2-(4-methoxyphenyl)-5-[5-(4-methylphenyl)-1-phenylpyrazol-3-yl]-1,3,4-oxadiazole
CID 1497065
N-(4-butoxyphenyl)-4-(3,5-diphenylpyrazol-1-yl)benzamide
CID 4862276
N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]-4-methoxybenzamide
CID 12018678
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7900022
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745529
4-(3-methyl-5-phenylpyrazol-1-yl)-N-(4-phenyldiazenylphenyl)benzamide
CID 4862205
5-benzamido-1-(4-methoxyphenyl)-3-methylpyrazole-4-diazonium
CID 10568626
3,5-dimethoxy-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 110725637
5-(4-methoxyphenyl)-1-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide
CID 55824547
N-(4-bromophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745504
3-cyclopropyl-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-phenylpyrazole-5-carboxamide
CID 16557342

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]benzamide?
The IUPAC name of N-[4-[5-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]benzamide (CID 162664109) is N-[4-[5-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]benzamide.
What is the SMILES notation for N-[4-[5-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]benzamide?
The canonical SMILES for N-[4-[5-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]benzamide is COc1ccc(-c2cc(-c3nnc(C)o3)nn2-c2ccc(NC(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[5-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]benzamide?
The InChIKey is VKSSMRNHLXEZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O3/c1-17-28-29-26(34-17)23-16-24(18-8-14-22(33-2)15-9-18)31(30-23)21-12-10-20(11-13-21)27-25(32)19-6-4-3-5-7-19/h3-16H,1-2H3,(H,27,32).
What are the key properties of N-[4-[5-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]benzamide?
N-[4-[5-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]benzamide has a molecular weight of 451.49 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]benzamide is sourced from PubChem (CID 162664109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).