N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C20H24N4O3S — CID 43044857

IUPACN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOc1ccccc1C(CNC(=O)CCc1nc(-c2ccsc2)no1)N(C)C
InChIInChI=1S/C20H24N4O3S/c1-24(2)16(15-6-4-5-7-17(15)26-3)12-21-18(25)8-9-19-22-20(23-27-19)14-10-11-28-13-14/h4-7,10-11,13,16H,8-9,12H2,1-3H3,(H,21,25)
InChIKeyFUJAAOYPGSLUMM-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.16
Rot. Bonds9

About N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 43044857) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID43044857
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC NameN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOc1ccccc1C(CNC(=O)CCc1nc(-c2ccsc2)no1)N(C)C
InChIInChI=1S/C20H24N4O3S/c1-24(2)16(15-6-4-5-7-17(15)26-3)12-21-18(25)8-9-19-22-20(23-27-19)14-10-11-28-13-14/h4-7,10-11,13,16H,8-9,12H2,1-3H3,(H,21,25)
InChIKeyFUJAAOYPGSLUMM-UHFFFAOYSA-N
XLogP3.16
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 43019750
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55407178
N-(3-aminobutyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119496253
N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51231604
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 43035277
3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 27298651
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CID 17465065
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 71922796
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55660215
N-[2-(4-fluorophenyl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9080782
N-[2-(2-methoxyphenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
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N-(4-methoxyphenyl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 43044857) is N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is COc1ccccc1C(CNC(=O)CCc1nc(-c2ccsc2)no1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is FUJAAOYPGSLUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-24(2)16(15-6-4-5-7-17(15)26-3)12-21-18(25)8-9-19-22-20(23-27-19)14-10-11-28-13-14/h4-7,10-11,13,16H,8-9,12H2,1-3H3,(H,21,25).
What are the key properties of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 400.50 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 43044857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).