N-(2-amino-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C13H18N4O2S — CID 119625948

IUPACN-(2-amino-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(C)(N)CNC(=O)CCc1nc(-c2cccs2)no1
InChIInChI=1S/C13H18N4O2S/c1-13(2,14)8-15-10(18)5-6-11-16-12(17-19-11)9-4-3-7-20-9/h3-4,7H,5-6,8,14H2,1-2H3,(H,15,18)
InChIKeyWUBYRLFFZRGKHZ-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.58
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(2-amino-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 119625948) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID119625948
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-(2-amino-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(C)(N)CNC(=O)CCc1nc(-c2cccs2)no1
InChIInChI=1S/C13H18N4O2S/c1-13(2,14)8-15-10(18)5-6-11-16-12(17-19-11)9-4-3-7-20-9/h3-4,7H,5-6,8,14H2,1-2H3,(H,15,18)
InChIKeyWUBYRLFFZRGKHZ-UHFFFAOYSA-N
XLogP1.58
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(3-aminobutyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
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2-methyl-N-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]propanamide
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N-(2-morpholin-4-ylethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 119625948) is N-(2-amino-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is CC(C)(N)CNC(=O)CCc1nc(-c2cccs2)no1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is WUBYRLFFZRGKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-13(2,14)8-15-10(18)5-6-11-16-12(17-19-11)9-4-3-7-20-9/h3-4,7H,5-6,8,14H2,1-2H3,(H,15,18).
What are the key properties of N-(2-amino-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(2-amino-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 294.38 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 119625948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).