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

C12H19N3O2S — CID 51088829

IUPACN-cyclopentyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]acetamide
SMILESCc1noc(C(C)SCC(=O)NC2CCCC2)n1
InChIInChI=1S/C12H19N3O2S/c1-8(12-13-9(2)15-17-12)18-7-11(16)14-10-5-3-4-6-10/h8,10H,3-7H2,1-2H3,(H,14,16)
InChIKeyZQFABCUJHAADSH-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.23
Rot. Bonds5

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

N-cyclopentyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]acetamide (PubChem CID 51088829) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-cyclopentyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]acetamide
PubChem CID51088829
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-cyclopentyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]acetamide
SMILESCc1noc(C(C)SCC(=O)NC2CCCC2)n1
InChIInChI=1S/C12H19N3O2S/c1-8(12-13-9(2)15-17-12)18-7-11(16)14-10-5-3-4-6-10/h8,10H,3-7H2,1-2H3,(H,14,16)
InChIKeyZQFABCUJHAADSH-UHFFFAOYSA-N
XLogP2.23
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,2S)-2-methylcyclohexyl]-2-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide
CID 95344777
N-cyclopentyl-3-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanamide
CID 95284643
N-cyclopentyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 110677317
5-(1-ethylsulfanylethyl)-3-methyl-1,2,4-oxadiazole
CID 130652596
N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclopentanamine
CID 115720116
2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17408045
(2R)-2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40714205
N-cyclopropyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]acetamide
CID 106659565
[2-(cyclopentylamino)-2-oxoethyl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate
CID 18155172
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide
CID 60606531
N-[1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]benzamide
CID 35192550
N-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]benzamide
CID 35192555

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]acetamide (CID 51088829) is N-cyclopentyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]acetamide is Cc1noc(C(C)SCC(=O)NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]acetamide?
The InChIKey is ZQFABCUJHAADSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-8(12-13-9(2)15-17-12)18-7-11(16)14-10-5-3-4-6-10/h8,10H,3-7H2,1-2H3,(H,14,16).
What are the key properties of N-cyclopentyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]acetamide?
N-cyclopentyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]acetamide has a molecular weight of 269.37 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]acetamide is sourced from PubChem (CID 51088829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).