N-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]-2,4-dimethylbenzamide

C18H17N3O2S — CID 53163565

IUPACN-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccsc2-c2nnc(C3CC3)o2)c(C)c1
InChIInChI=1S/C18H17N3O2S/c1-10-3-6-13(11(2)9-10)16(22)19-14-7-8-24-15(14)18-21-20-17(23-18)12-4-5-12/h3,6-9,12H,4-5H2,1-2H3,(H,19,22)
InChIKeyWMKMVYWTUWGOLR-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.54
Rot. Bonds4

About N-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]-2,4-dimethylbenzamide

N-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]-2,4-dimethylbenzamide (PubChem CID 53163565) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]-2,4-dimethylbenzamide
PubChem CID53163565
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccsc2-c2nnc(C3CC3)o2)c(C)c1
InChIInChI=1S/C18H17N3O2S/c1-10-3-6-13(11(2)9-10)16(22)19-14-7-8-24-15(14)18-21-20-17(23-18)12-4-5-12/h3,6-9,12H,4-5H2,1-2H3,(H,19,22)
InChIKeyWMKMVYWTUWGOLR-UHFFFAOYSA-N
XLogP4.54
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]-2-methoxybenzamide
CID 53163569
N-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]-1H-indole-2-carboxamide
CID 53163593
methyl 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate
CID 162060001
2,4-dimethyl-N-(1,3-thiazol-2-yl)benzamide
CID 953286
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylbenzamide
CID 8608535
2-chloro-5-fluoro-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide
CID 53163632
2,4-dimethyl-N-(1,3,4-oxadiazol-2-yl)benzamide
CID 148797185
2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 92560822
N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643
N-(2-ethylphenyl)-2,4-dimethylbenzamide
CID 953221
2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 78792564
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,4-diethoxybenzamide
CID 90607900

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]-2,4-dimethylbenzamide?
The IUPAC name of N-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]-2,4-dimethylbenzamide (CID 53163565) is N-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccsc2-c2nnc(C3CC3)o2)c(C)c1.
What is the InChIKey of N-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]-2,4-dimethylbenzamide?
The InChIKey is WMKMVYWTUWGOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-10-3-6-13(11(2)9-10)16(22)19-14-7-8-24-15(14)18-21-20-17(23-18)12-4-5-12/h3,6-9,12H,4-5H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]-2,4-dimethylbenzamide?
N-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]-2,4-dimethylbenzamide has a molecular weight of 339.42 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]-2,4-dimethylbenzamide is sourced from PubChem (CID 53163565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).