N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide

C19H19N3O2S — CID 53042355

IUPACN-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(-c3noc(C4CCC4)n3)sc2C)cc1
InChIInChI=1S/C19H19N3O2S/c1-11-6-8-13(9-7-11)18(23)20-15-10-16(25-12(15)2)17-21-19(24-22-17)14-4-3-5-14/h6-10,14H,3-5H2,1-2H3,(H,20,23)
InChIKeySDZQGPPFYXEOGA-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.93
Rot. Bonds4

About N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide

N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide (PubChem CID 53042355) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide
PubChem CID53042355
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(-c3noc(C4CCC4)n3)sc2C)cc1
InChIInChI=1S/C19H19N3O2S/c1-11-6-8-13(9-7-11)18(23)20-15-10-16(25-12(15)2)17-21-19(24-22-17)14-4-3-5-14/h6-10,14H,3-5H2,1-2H3,(H,20,23)
InChIKeySDZQGPPFYXEOGA-UHFFFAOYSA-N
XLogP4.93
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]pyridine-4-carboxamide
CID 53042375
N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3-fluoro-4-methylbenzamide
CID 53042385
3-acetamido-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide
CID 53042334
(E)-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3-(4-methylphenyl)prop-2-enamide
CID 53078662
N-[2-[[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]benzamide
CID 53042331
(2R)-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 93075275
5-bromo-N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide
CID 53078643
N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3-(dimethylamino)benzamide
CID 53042315
N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3,4,5-trimethoxybenzamide
CID 53078649
(E)-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 53078661
3-(4-bromo-5-methylthiophen-2-yl)-5-cyclobutyl-1,2,4-oxadiazole
CID 165486283
1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53042184

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide?
The IUPAC name of N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide (CID 53042355) is N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide.
What is the SMILES notation for N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide?
The canonical SMILES for N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(-c3noc(C4CCC4)n3)sc2C)cc1.
What is the InChIKey of N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide?
The InChIKey is SDZQGPPFYXEOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-11-6-8-13(9-7-11)18(23)20-15-10-16(25-12(15)2)17-21-19(24-22-17)14-4-3-5-14/h6-10,14H,3-5H2,1-2H3,(H,20,23).
What are the key properties of N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide?
N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide has a molecular weight of 353.45 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide is sourced from PubChem (CID 53042355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).