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

C14H17N3O2 — CID 94789301

IUPAC2,4-dimethyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)N[C@@H](C)c2nc(C)no2)c(C)c1
InChIInChI=1S/C14H17N3O2/c1-8-5-6-12(9(2)7-8)13(18)15-10(3)14-16-11(4)17-19-14/h5-7,10H,1-4H3,(H,15,18)/t10-/m0/s1
InChIKeyUWHAYXAZZHGWQW-JTQLQIEISA-N
MW259.31 g/mol
LogP2.49
Rot. Bonds3

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

2,4-dimethyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide (PubChem CID 94789301) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
PubChem CID94789301
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2,4-dimethyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)N[C@@H](C)c2nc(C)no2)c(C)c1
InChIInChI=1S/C14H17N3O2/c1-8-5-6-12(9(2)7-8)13(18)15-10(3)14-16-11(4)17-19-14/h5-7,10H,1-4H3,(H,15,18)/t10-/m0/s1
InChIKeyUWHAYXAZZHGWQW-JTQLQIEISA-N
XLogP2.49
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 94665510
2-(4-fluorobenzoyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 97315521
2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-3-carboxamide
CID 146083478
2,4-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 16967777
5-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 46194002
2,4-dimethyl-N-(1-naphthalen-2-ylethyl)benzamide
CID 43011349
2-(N-methylanilino)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 97008975
2-(furan-2-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-4-carboxamide
CID 56822225
5-ethyl-4-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide
CID 52800521
N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 52800488
5-chloro-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide
CID 94806137
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzamide
CID 19466965

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide (CID 94789301) is 2,4-dimethyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide is Cc1ccc(C(=O)N[C@@H](C)c2nc(C)no2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The InChIKey is UWHAYXAZZHGWQW-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N3O2/c1-8-5-6-12(9(2)7-8)13(18)15-10(3)14-16-11(4)17-19-14/h5-7,10H,1-4H3,(H,15,18)/t10-/m0/s1.
What are the key properties of 2,4-dimethyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
2,4-dimethyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide has a molecular weight of 259.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 94789301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).