N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-hydroxyethylsulfanyl)-N-methylbenzamide

C18H23N3O3S — CID 91796441

IUPACN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-hydroxyethylsulfanyl)-N-methylbenzamide
SMILESCN(Cc1noc(C2CCCC2)n1)C(=O)c1ccc(SCCO)cc1
InChIInChI=1S/C18H23N3O3S/c1-21(12-16-19-17(24-20-16)13-4-2-3-5-13)18(23)14-6-8-15(9-7-14)25-11-10-22/h6-9,13,22H,2-5,10-12H2,1H3
InChIKeyPQJHBVIHKLHGQP-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.08
Rot. Bonds7

About N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-hydroxyethylsulfanyl)-N-methylbenzamide

N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-hydroxyethylsulfanyl)-N-methylbenzamide (PubChem CID 91796441) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-hydroxyethylsulfanyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-hydroxyethylsulfanyl)-N-methylbenzamide
PubChem CID91796441
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-hydroxyethylsulfanyl)-N-methylbenzamide
SMILESCN(Cc1noc(C2CCCC2)n1)C(=O)c1ccc(SCCO)cc1
InChIInChI=1S/C18H23N3O3S/c1-21(12-16-19-17(24-20-16)13-4-2-3-5-13)18(23)14-6-8-15(9-7-14)25-11-10-22/h6-9,13,22H,2-5,10-12H2,1H3
InChIKeyPQJHBVIHKLHGQP-UHFFFAOYSA-N
XLogP3.08
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-phenylsulfanylacetamide
CID 53055557
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CID 91775502
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3-dimethylbenzamide
CID 46290783
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-sulfamoylbenzamide
CID 77090358
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-fluoro-N-methylbenzamide
CID 53055562
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
CID 53055565
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 72912208
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2-(dimethylamino)-N-methyl-2-(3-methylphenyl)acetamide
CID 50960712
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-fluorophenyl)-N-methylbutanamide
CID 122152905
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-imidazo[1,2-a]pyridin-2-yl-N-methylpropanamide
CID 50953476
4-(2-hydroxyethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 56896332
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-(3-methylimidazol-4-yl)benzamide
CID 121498181

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-hydroxyethylsulfanyl)-N-methylbenzamide?
The IUPAC name of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-hydroxyethylsulfanyl)-N-methylbenzamide (CID 91796441) is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-hydroxyethylsulfanyl)-N-methylbenzamide.
What is the SMILES notation for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-hydroxyethylsulfanyl)-N-methylbenzamide?
The canonical SMILES for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-hydroxyethylsulfanyl)-N-methylbenzamide is CN(Cc1noc(C2CCCC2)n1)C(=O)c1ccc(SCCO)cc1.
What is the InChIKey of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-hydroxyethylsulfanyl)-N-methylbenzamide?
The InChIKey is PQJHBVIHKLHGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-21(12-16-19-17(24-20-16)13-4-2-3-5-13)18(23)14-6-8-15(9-7-14)25-11-10-22/h6-9,13,22H,2-5,10-12H2,1H3.
What are the key properties of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-hydroxyethylsulfanyl)-N-methylbenzamide?
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-hydroxyethylsulfanyl)-N-methylbenzamide has a molecular weight of 361.47 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-hydroxyethylsulfanyl)-N-methylbenzamide is sourced from PubChem (CID 91796441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).