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

C19H19N3O2S — CID 53156192

IUPACN-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(-c3nc(C4CC4)no3)s2)c(C)c1
InChIInChI=1S/C19H19N3O2S/c1-11-3-7-15(12(2)9-11)18(23)20-10-14-6-8-16(25-14)19-21-17(22-24-19)13-4-5-13/h3,6-9,13H,4-5,10H2,1-2H3,(H,20,23)
InChIKeyNXCMTWFJSKKFPZ-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.22
Rot. Bonds5

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

N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-2,4-dimethylbenzamide (PubChem CID 53156192) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-2,4-dimethylbenzamide
PubChem CID53156192
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(-c3nc(C4CC4)no3)s2)c(C)c1
InChIInChI=1S/C19H19N3O2S/c1-11-3-7-15(12(2)9-11)18(23)20-10-14-6-8-16(25-14)19-21-17(22-24-19)13-4-5-13/h3,6-9,13H,4-5,10H2,1-2H3,(H,20,23)
InChIKeyNXCMTWFJSKKFPZ-UHFFFAOYSA-N
XLogP4.22
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-5-methylthiophene-2-carboxamide
CID 53156193
2-chloro-N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-4-fluorobenzamide
CID 53156195
N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]thiophene-3-carboxamide
CID 53156199
N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide
CID 53156179
2-chloro-N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-6-fluorobenzamide
CID 53156185
N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-methoxy-2-methylbenzamide
CID 91893008
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethylbenzamide
CID 121134099
2,5-difluoro-N-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]benzamide
CID 53156159
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55890972
2,4-dimethyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967457
3-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 17488570
N-[[4-(chloromethyl)phenyl]methyl]-2,4-dimethylbenzamide
CID 107233380

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-2,4-dimethylbenzamide (CID 53156192) is N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)NCc2ccc(-c3nc(C4CC4)no3)s2)c(C)c1.
What is the InChIKey of N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-2,4-dimethylbenzamide?
The InChIKey is NXCMTWFJSKKFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-11-3-7-15(12(2)9-11)18(23)20-10-14-6-8-16(25-14)19-21-17(22-24-19)13-4-5-13/h3,6-9,13H,4-5,10H2,1-2H3,(H,20,23).
What are the key properties of N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-2,4-dimethylbenzamide?
N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-2,4-dimethylbenzamide has a molecular weight of 353.45 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 53156192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).