1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one

C15H20N4O2S — CID 120806649

IUPAC1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCC1(CN)CCN(C(=O)CCc2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C15H20N4O2S/c1-15(9-16)5-6-19(10-15)13(20)3-2-12-17-14(18-21-12)11-4-7-22-8-11/h4,7-8H,2-3,5-6,9-10,16H2,1H3
InChIKeyNMBMVEFPLWJFTP-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.93
Rot. Bonds5

About 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one

1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one (PubChem CID 120806649) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
PubChem CID120806649
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCC1(CN)CCN(C(=O)CCc2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C15H20N4O2S/c1-15(9-16)5-6-19(10-15)13(20)3-2-12-17-14(18-21-12)11-4-7-22-8-11/h4,7-8H,2-3,5-6,9-10,16H2,1H3
InChIKeyNMBMVEFPLWJFTP-UHFFFAOYSA-N
XLogP1.93
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
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1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
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1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidine-3-carboxylic acid
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1-(3-hydroxypiperidin-1-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 110882018
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 55970802
1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 31107443
1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 31107442
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The IUPAC name of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one (CID 120806649) is 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The canonical SMILES for 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one is CC1(CN)CCN(C(=O)CCc2nc(-c3ccsc3)no2)C1.
What is the InChIKey of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The InChIKey is NMBMVEFPLWJFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-15(9-16)5-6-19(10-15)13(20)3-2-12-17-14(18-21-12)11-4-7-22-8-11/h4,7-8H,2-3,5-6,9-10,16H2,1H3.
What are the key properties of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one has a molecular weight of 320.42 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one is sourced from PubChem (CID 120806649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).