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

C25H23N3O3 — CID 10273164

IUPACN-(4-methoxy-3-methylphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3cc(-c4nnc(C)o4)ccc3C)cc2)cc1C
InChIInChI=1S/C25H23N3O3/c1-15-5-6-20(25-28-27-17(3)31-25)14-22(15)18-7-9-19(10-8-18)24(29)26-21-11-12-23(30-4)16(2)13-21/h5-14H,1-4H3,(H,26,29)
InChIKeyYZFWVIADERAJCA-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.59
Rot. Bonds5

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

N-(4-methoxy-3-methylphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 10273164) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-(4-methoxy-3-methylphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-(4-methoxy-3-methylphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID10273164
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-(4-methoxy-3-methylphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3cc(-c4nnc(C)o4)ccc3C)cc2)cc1C
InChIInChI=1S/C25H23N3O3/c1-15-5-6-20(25-28-27-17(3)31-25)14-22(15)18-7-9-19(10-8-18)24(29)26-21-11-12-23(30-4)16(2)13-21/h5-14H,1-4H3,(H,26,29)
InChIKeyYZFWVIADERAJCA-UHFFFAOYSA-N
XLogP5.59
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 110725536
N-cyclopropyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 21078792
N-(cyclopropylmethyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 21078798
4-[2-chloro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 19007040
N-[2-(4-methoxyphenyl)ethyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 10137354
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
N-(1-cyclopropylethyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 21078781
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl chloride;oxalyl dichloride
CID 86597648
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentan-2-ylbenzamide
CID 21078775
N-(4-methoxy-3-methylphenyl)-4-sulfanylbenzamide
CID 107025570
N-methyl-4-[[[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]methyl]benzamide
CID 10225261
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[2-(4-sulfamoylphenyl)phenyl]benzamide
CID 10118990

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-methylphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of N-(4-methoxy-3-methylphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 10273164) is N-(4-methoxy-3-methylphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for N-(4-methoxy-3-methylphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for N-(4-methoxy-3-methylphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is COc1ccc(NC(=O)c2ccc(-c3cc(-c4nnc(C)o4)ccc3C)cc2)cc1C.
What is the InChIKey of N-(4-methoxy-3-methylphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is YZFWVIADERAJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-15-5-6-20(25-28-27-17(3)31-25)14-22(15)18-7-9-19(10-8-18)24(29)26-21-11-12-23(30-4)16(2)13-21/h5-14H,1-4H3,(H,26,29).
What are the key properties of N-(4-methoxy-3-methylphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
N-(4-methoxy-3-methylphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 413.48 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-methylphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 10273164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).