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

C20H20N4O2S — CID 55594478

IUPACN-[(4-cyanophenyl)methyl]-N-propyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)CCc1nnc(-c2ccsc2)o1
InChIInChI=1S/C20H20N4O2S/c1-2-10-24(13-16-5-3-15(12-21)4-6-16)19(25)8-7-18-22-23-20(26-18)17-9-11-27-14-17/h3-6,9,11,14H,2,7-8,10,13H2,1H3
InChIKeyCYWFDYJCMLZXFT-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.04
Rot. Bonds8

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

N-[(4-cyanophenyl)methyl]-N-propyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 55594478) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N-propyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N-propyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID55594478
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-[(4-cyanophenyl)methyl]-N-propyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)CCc1nnc(-c2ccsc2)o1
InChIInChI=1S/C20H20N4O2S/c1-2-10-24(13-16-5-3-15(12-21)4-6-16)19(25)8-7-18-22-23-20(26-18)17-9-11-27-14-17/h3-6,9,11,14H,2,7-8,10,13H2,1H3
InChIKeyCYWFDYJCMLZXFT-UHFFFAOYSA-N
XLogP4.04
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55550163
N-[(4-cyanophenyl)methyl]-N-propyl-3-thiophen-2-ylpropanamide
CID 52573104
N-ethyl-N-phenyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 51076251
N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 94181333
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38087106
N-[(3-methoxy-4-propoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropanamide
CID 55413074
2-methyl-3-[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]propanoic acid
CID 119228121
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 31836258
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38035098
N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 48866094
N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 94628646
N-[(4-cyanophenyl)methyl]-3-oxo-N-propylbutanamide
CID 54876667

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N-propyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N-propyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 55594478) is N-[(4-cyanophenyl)methyl]-N-propyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N-propyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N-propyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is CCCN(Cc1ccc(C#N)cc1)C(=O)CCc1nnc(-c2ccsc2)o1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N-propyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is CYWFDYJCMLZXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-2-10-24(13-16-5-3-15(12-21)4-6-16)19(25)8-7-18-22-23-20(26-18)17-9-11-27-14-17/h3-6,9,11,14H,2,7-8,10,13H2,1H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-N-propyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-[(4-cyanophenyl)methyl]-N-propyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 380.47 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N-propyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 55594478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).