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

C13H17N3O3S — CID 18161132

IUPACN-(1-methoxypropan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOCC(C)NC(=O)CCc1nc(-c2ccsc2)no1
InChIInChI=1S/C13H17N3O3S/c1-9(7-18-2)14-11(17)3-4-12-15-13(16-19-12)10-5-6-20-8-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,17)
InChIKeyBEXCVWRIZPFLFT-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.88
Rot. Bonds7

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

N-(1-methoxypropan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 18161132) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID18161132
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(1-methoxypropan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOCC(C)NC(=O)CCc1nc(-c2ccsc2)no1
InChIInChI=1S/C13H17N3O3S/c1-9(7-18-2)14-11(17)3-4-12-15-13(16-19-12)10-5-6-20-8-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,17)
InChIKeyBEXCVWRIZPFLFT-UHFFFAOYSA-N
XLogP1.88
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 18161132) is N-(1-methoxypropan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is COCC(C)NC(=O)CCc1nc(-c2ccsc2)no1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is BEXCVWRIZPFLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9(7-18-2)14-11(17)3-4-12-15-13(16-19-12)10-5-6-20-8-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,17).
What are the key properties of N-(1-methoxypropan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(1-methoxypropan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 295.36 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 18161132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).