N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide

C14H20N4O2S — CID 120868060

IUPACN-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide
SMILESCNC(C)Cc1noc(CC(NC(C)=O)c2cccs2)n1
InChIInChI=1S/C14H20N4O2S/c1-9(15-3)7-13-17-14(20-18-13)8-11(16-10(2)19)12-5-4-6-21-12/h4-6,9,11,15H,7-8H2,1-3H3,(H,16,19)
InChIKeyNBPQXYVVFYTOGE-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.70
Rot. Bonds7

About N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide

N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide (PubChem CID 120868060) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide
PubChem CID120868060
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide
SMILESCNC(C)Cc1noc(CC(NC(C)=O)c2cccs2)n1
InChIInChI=1S/C14H20N4O2S/c1-9(15-3)7-13-17-14(20-18-13)8-11(16-10(2)19)12-5-4-6-21-12/h4-6,9,11,15H,7-8H2,1-3H3,(H,16,19)
InChIKeyNBPQXYVVFYTOGE-UHFFFAOYSA-N
XLogP1.70
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-Thiophen-2-yl-[1,2,4]oxadiazol-5-yl)-piperidine-1-carboxylic acid cyclohexylamide
CID 3226278
N-hydroxy-7-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)heptanamide
CID 46190825
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-thiophen-2-ylbutanamide
CID 72009125
5-[3-(Thiophen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine hydrochloride
CID 16257297
2-[2-(3-Methyl-1,2,4-oxadiazol-5-YL)piperidino]-N-(2-thienylmethyl)acetamide
CID 53177871
2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidino]-N-[2-(2-thienyl)ethyl]acetamide
CID 53192017
2-{2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidino}-N~1~-(2-thienylmethyl)acetamide
CID 53192019
N~1~-[(3S,4S)-4-(3-Methyl-1,2,4-oxadiazol-5-YL)-1-(2-thienylmethyl)hexahydro-3-pyridinyl]-1-cyclopropanecarboxamide
CID 91905831
1-Acetyl-4-(3-methyl-1,2,4-oxadiazol-5-YL)-N-[(thiophen-2-YL)methyl]pyrrolidine-3-carboxamide
CID 91911146
5-[(5-Methylthiophen-2-YL)methyl]-9-[3-(propan-2-YL)-1,2,4-oxadiazol-5-YL]-1,5-diazacycloundecan-2-one
CID 110200359
N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 15142097
5-[3-(Thiophen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 7130853

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide?
The IUPAC name of N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide (CID 120868060) is N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide?
The canonical SMILES for N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide is CNC(C)Cc1noc(CC(NC(C)=O)c2cccs2)n1.
What is the InChIKey of N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide?
The InChIKey is NBPQXYVVFYTOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-9(15-3)7-13-17-14(20-18-13)8-11(16-10(2)19)12-5-4-6-21-12/h4-6,9,11,15H,7-8H2,1-3H3,(H,16,19).
What are the key properties of N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide?
N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide has a molecular weight of 308.41 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 120868060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).