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

C18H17N3O2 — CID 110725536

IUPAC3,4-dimethyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1nnc(-c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)o1
InChIInChI=1S/C18H17N3O2/c1-11-4-5-15(10-12(11)2)17(22)19-16-8-6-14(7-9-16)18-21-20-13(3)23-18/h4-10H,1-3H3,(H,19,22)
InChIKeyLHEQLOJLYHLPAA-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.91
Rot. Bonds3

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

3,4-dimethyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 110725536) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3,4-dimethyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID110725536
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name3,4-dimethyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1nnc(-c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)o1
InChIInChI=1S/C18H17N3O2/c1-11-4-5-15(10-12(11)2)17(22)19-16-8-6-14(7-9-16)18-21-20-13(3)23-18/h4-10H,1-3H3,(H,19,22)
InChIKeyLHEQLOJLYHLPAA-UHFFFAOYSA-N
XLogP3.91
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
N-(2,5-dimethylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 110693237
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 110693289
N-(4-methoxy-3-methylphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 10273164
N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 155951507
2-(3,4-dimethylphenyl)-5-methyl-1,3,4-oxadiazole
CID 53017476
N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 110725523
N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3,4-dimethylbenzamide
CID 3395409
2-amino-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 164831396
2,4,5-trifluoro-3-hydroxy-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 86789899
N-cyclopropyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 110693154
N-(3,4-dimethylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390940

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 110725536) is 3,4-dimethyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is Cc1nnc(-c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)o1.
What is the InChIKey of 3,4-dimethyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is LHEQLOJLYHLPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11-4-5-15(10-12(11)2)17(22)19-16-8-6-14(7-9-16)18-21-20-13(3)23-18/h4-10H,1-3H3,(H,19,22).
What are the key properties of 3,4-dimethyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
3,4-dimethyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 307.35 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 110725536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).