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

C13H15N3O2 — CID 110318313

IUPAC3,4-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCc1nnc(CNC(=O)c2ccc(C)c(C)c2)o1
InChIInChI=1S/C13H15N3O2/c1-8-4-5-11(6-9(8)2)13(17)14-7-12-16-15-10(3)18-12/h4-6H,7H2,1-3H3,(H,14,17)
InChIKeyRGXJAEVXUMGFOW-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.92
Rot. Bonds3

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

3,4-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 110318313) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
PubChem CID110318313
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3,4-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCc1nnc(CNC(=O)c2ccc(C)c(C)c2)o1
InChIInChI=1S/C13H15N3O2/c1-8-4-5-11(6-9(8)2)13(17)14-7-12-16-15-10(3)18-12/h4-6H,7H2,1-3H3,(H,14,17)
InChIKeyRGXJAEVXUMGFOW-UHFFFAOYSA-N
XLogP1.92
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 68670377
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 166185552
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(propanoylamino)benzamide
CID 46998360
3,4-dimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide
CID 110714591
6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyran-2-carboxamide
CID 86287074
3,4-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110368440
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]furan-2-carboxamide
CID 75357594
(5-methyl-1,3,4-oxadiazol-2-yl)methylurea
CID 130738422
2,3,4-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318351
2-[(4-hydroxycyclohexyl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazoline-7-carboxamide
CID 58082159
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzamide
CID 110321629
3,4-dimethyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 110725536

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 110318313) is 3,4-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide is Cc1nnc(CNC(=O)c2ccc(C)c(C)c2)o1.
What is the InChIKey of 3,4-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The InChIKey is RGXJAEVXUMGFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-4-5-11(6-9(8)2)13(17)14-7-12-16-15-10(3)18-12/h4-6H,7H2,1-3H3,(H,14,17).
What are the key properties of 3,4-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
3,4-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 245.28 g/mol, XLogP of 1.92, 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-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 110318313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).