N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C20H22N4O2S — CID 55652199

IUPACN-[(1-phenylpyrrolidin-3-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2cccs2)no1)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C20H22N4O2S/c25-18(8-9-19-22-20(23-26-19)17-7-4-12-27-17)21-13-15-10-11-24(14-15)16-5-2-1-3-6-16/h1-7,12,15H,8-11,13-14H2,(H,21,25)
InChIKeyPFTAWQRUSGLWAV-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.37
Rot. Bonds7

About N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 55652199) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(1-phenylpyrrolidin-3-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID55652199
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-[(1-phenylpyrrolidin-3-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2cccs2)no1)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C20H22N4O2S/c25-18(8-9-19-22-20(23-26-19)17-7-4-12-27-17)21-13-15-10-11-24(14-15)16-5-2-1-3-6-16/h1-7,12,15H,8-11,13-14H2,(H,21,25)
InChIKeyPFTAWQRUSGLWAV-UHFFFAOYSA-N
XLogP3.37
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 70725512
N-(cyclohexylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 24679617
N-(oxolan-2-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18102026
N-(2-morpholin-4-ylethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 43045209
N-[2-(cycloheptylamino)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119619263
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51230521
N-(4-piperidin-1-ylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39995844
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 56517219
N-(2-methyl-2-morpholin-4-ylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51238653
N-(2-amino-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119625948
3-(2-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 120612518
N-(4-aminocyclohexyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
CID 119474585

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 55652199) is N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2cccs2)no1)NCC1CCN(c2ccccc2)C1.
What is the InChIKey of N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is PFTAWQRUSGLWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c25-18(8-9-19-22-20(23-26-19)17-7-4-12-27-17)21-13-15-10-11-24(14-15)16-5-2-1-3-6-16/h1-7,12,15H,8-11,13-14H2,(H,21,25).
What are the key properties of N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 382.49 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 55652199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).