1-[2-(dimethylamino)ethyl]-4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

C12H20N4O2S — CID 72876155

IUPAC1-[2-(dimethylamino)ethyl]-4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCSCc1noc(C2CC(=O)N(CCN(C)C)C2)n1
InChIInChI=1S/C12H20N4O2S/c1-15(2)4-5-16-7-9(6-11(16)17)12-13-10(8-19-3)14-18-12/h9H,4-8H2,1-3H3
InChIKeySGTACPBVBZCLQP-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.81
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

1-[2-(dimethylamino)ethyl]-4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (PubChem CID 72876155) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
PubChem CID72876155
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name1-[2-(dimethylamino)ethyl]-4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCSCc1noc(C2CC(=O)N(CCN(C)C)C2)n1
InChIInChI=1S/C12H20N4O2S/c1-15(2)4-5-16-7-9(6-11(16)17)12-13-10(8-19-3)14-18-12/h9H,4-8H2,1-3H3
InChIKeySGTACPBVBZCLQP-UHFFFAOYSA-N
XLogP0.81
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-1-[2-(dimethylamino)ethyl]-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 97455337
(4S)-1-[2-(dimethylamino)ethyl]-4-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 97455017
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one;hydrochloride
CID 120855663
1-(2-methoxyethyl)-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72882973
4-[3-(cyclopentylmethyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 154759331
4-[3-[(2,5-dimethylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one
CID 119039342
N-methyl-4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63351991
4-[3-(cyclopentylmethyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 154759332
4-amino-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one;dihydrochloride
CID 82021991
5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436173
(4R)-4-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one
CID 129471642
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one
CID 120853207

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (CID 72876155) is 1-[2-(dimethylamino)ethyl]-4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is CSCc1noc(C2CC(=O)N(CCN(C)C)C2)n1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The InChIKey is SGTACPBVBZCLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-15(2)4-5-16-7-9(6-11(16)17)12-13-10(8-19-3)14-18-12/h9H,4-8H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
1-[2-(dimethylamino)ethyl]-4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one has a molecular weight of 284.38 g/mol, XLogP of 0.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 72876155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).