[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone

C15H20N4O2S — CID 120866033

IUPAC[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESCNC(C)Cc1noc(C2CCCN2C(=O)c2cccs2)n1
InChIInChI=1S/C15H20N4O2S/c1-10(16-2)9-13-17-14(21-18-13)11-5-3-7-19(11)15(20)12-6-4-8-22-12/h4,6,8,10-11,16H,3,5,7,9H2,1-2H3
InChIKeyACSQVIOVLJUSSS-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.26
Rot. Bonds5

About [2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone

[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 120866033) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is [2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
PubChem CID120866033
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESCNC(C)Cc1noc(C2CCCN2C(=O)c2cccs2)n1
InChIInChI=1S/C15H20N4O2S/c1-10(16-2)9-13-17-14(21-18-13)11-5-3-7-19(11)15(20)12-6-4-8-22-12/h4,6,8,10-11,16H,3,5,7,9H2,1-2H3
InChIKeyACSQVIOVLJUSSS-UHFFFAOYSA-N
XLogP2.26
TPSA71.26 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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2,5-dichlorophenyl)-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone;hydrochloride
CID 120865752
1-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride
CID 120868817
[2-(difluoromethoxy)phenyl]-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 120865046
[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride
CID 120865283
[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 93049705
[(2R)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 95057587
N-methyl-1-[5-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115078063
(4-chlorophenyl)-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;hydrochloride
CID 120864845
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 90564177
N-methyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
CID 110110288
(3-methyl-1,2-oxazol-5-yl)-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 56686247
[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 56728139

Frequently Asked Questions

What is the IUPAC name of [2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone (CID 120866033) is [2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone is CNC(C)Cc1noc(C2CCCN2C(=O)c2cccs2)n1.
What is the InChIKey of [2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is ACSQVIOVLJUSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-10(16-2)9-13-17-14(21-18-13)11-5-3-7-19(11)15(20)12-6-4-8-22-12/h4,6,8,10-11,16H,3,5,7,9H2,1-2H3.
What are the key properties of [2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone?
[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 320.42 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 120866033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).