N-[1-(1-benzothiophen-3-ylmethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide

C18H20N4O2S — CID 129005725

IUPACN-[1-(1-benzothiophen-3-ylmethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1(c2noc(C)n2)CCN(Cc2csc3ccccc23)C1
InChIInChI=1S/C18H20N4O2S/c1-12(23)20-18(17-19-13(2)24-21-17)7-8-22(11-18)9-14-10-25-16-6-4-3-5-15(14)16/h3-6,10H,7-9,11H2,1-2H3,(H,20,23)
InChIKeyKISGCYDFUOVGPM-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.83
Rot. Bonds4

About N-[1-(1-benzothiophen-3-ylmethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide

N-[1-(1-benzothiophen-3-ylmethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide (PubChem CID 129005725) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-3-ylmethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-3-ylmethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide
PubChem CID129005725
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-[1-(1-benzothiophen-3-ylmethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1(c2noc(C)n2)CCN(Cc2csc3ccccc23)C1
InChIInChI=1S/C18H20N4O2S/c1-12(23)20-18(17-19-13(2)24-21-17)7-8-22(11-18)9-14-10-25-16-6-4-3-5-15(14)16/h3-6,10H,7-9,11H2,1-2H3,(H,20,23)
InChIKeyKISGCYDFUOVGPM-UHFFFAOYSA-N
XLogP2.83
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide
CID 129331110
1-[1-(1-benzothiophen-3-ylmethyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106318658
2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-methylacetamide
CID 17434577
N-[(3R)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide
CID 129326461
5-[[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]methyl]-3-(4-ethylphenyl)-1,2,4-oxadiazole
CID 16576444
1-(1-benzothiophen-3-ylmethyl)-4-bromo-3,3-dimethylpiperidine
CID 112747313
2-[1-(1-benzothiophen-3-ylmethyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659440
3-(1H-indol-3-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide
CID 71943405
1-(1-benzothiophen-3-ylmethyl)piperidine chloride
CID 53347465
10-(1-benzothiophen-3-ylmethyl)-6,10-diazaspiro[4.6]undecane
CID 64869502
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55538479
2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol
CID 60705027

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-3-ylmethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-(1-benzothiophen-3-ylmethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide (CID 129005725) is N-[1-(1-benzothiophen-3-ylmethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(1-benzothiophen-3-ylmethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-(1-benzothiophen-3-ylmethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide is CC(=O)NC1(c2noc(C)n2)CCN(Cc2csc3ccccc23)C1.
What is the InChIKey of N-[1-(1-benzothiophen-3-ylmethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is KISGCYDFUOVGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-12(23)20-18(17-19-13(2)24-21-17)7-8-22(11-18)9-14-10-25-16-6-4-3-5-15(14)16/h3-6,10H,7-9,11H2,1-2H3,(H,20,23).
What are the key properties of N-[1-(1-benzothiophen-3-ylmethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide?
N-[1-(1-benzothiophen-3-ylmethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 356.45 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-3-ylmethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 129005725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).