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

C22H26N4O3S — CID 43035277

IUPACN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOc1ccc(C(CNC(=O)CCc2nc(-c3ccsc3)no2)N2CCCC2)cc1
InChIInChI=1S/C22H26N4O3S/c1-28-18-6-4-16(5-7-18)19(26-11-2-3-12-26)14-23-20(27)8-9-21-24-22(25-29-21)17-10-13-30-15-17/h4-7,10,13,15,19H,2-3,8-9,11-12,14H2,1H3,(H,23,27)
InChIKeyZEPFHZYOSWTMTJ-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.69
Rot. Bonds9

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

N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 43035277) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID43035277
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC NameN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOc1ccc(C(CNC(=O)CCc2nc(-c3ccsc3)no2)N2CCCC2)cc1
InChIInChI=1S/C22H26N4O3S/c1-28-18-6-4-16(5-7-18)19(26-11-2-3-12-26)14-23-20(27)8-9-21-24-22(25-29-21)17-10-13-30-15-17/h4-7,10,13,15,19H,2-3,8-9,11-12,14H2,1H3,(H,23,27)
InChIKeyZEPFHZYOSWTMTJ-UHFFFAOYSA-N
XLogP3.69
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 24544204
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55623767
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 24638682
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46493557
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 42936730
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110301837
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 31703237
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 24544215
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 55925379
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 43044857
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 16931779
2-(4-methoxyphenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide
CID 16931623

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 43035277) is N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is COc1ccc(C(CNC(=O)CCc2nc(-c3ccsc3)no2)N2CCCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is ZEPFHZYOSWTMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-28-18-6-4-16(5-7-18)19(26-11-2-3-12-26)14-23-20(27)8-9-21-24-22(25-29-21)17-10-13-30-15-17/h4-7,10,13,15,19H,2-3,8-9,11-12,14H2,1H3,(H,23,27).
What are the key properties of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 426.54 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 43035277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).