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

C16H16N4O2S — CID 18163088

IUPACN-(1-pyridin-3-ylethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(NC(=O)CCc1nc(-c2ccsc2)no1)c1cccnc1
InChIInChI=1S/C16H16N4O2S/c1-11(12-3-2-7-17-9-12)18-14(21)4-5-15-19-16(20-22-15)13-6-8-23-10-13/h2-3,6-11H,4-5H2,1H3,(H,18,21)
InChIKeyJFSPFHLUEBBEPF-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.00
Rot. Bonds6

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

N-(1-pyridin-3-ylethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 18163088) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-(1-pyridin-3-ylethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(1-pyridin-3-ylethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID18163088
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-(1-pyridin-3-ylethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(NC(=O)CCc1nc(-c2ccsc2)no1)c1cccnc1
InChIInChI=1S/C16H16N4O2S/c1-11(12-3-2-7-17-9-12)18-14(21)4-5-15-19-16(20-22-15)13-6-8-23-10-13/h2-3,6-11H,4-5H2,1H3,(H,18,21)
InChIKeyJFSPFHLUEBBEPF-UHFFFAOYSA-N
XLogP3.00
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-3-ylethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(1-pyridin-3-ylethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 18163088) is N-(1-pyridin-3-ylethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(1-pyridin-3-ylethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(1-pyridin-3-ylethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is CC(NC(=O)CCc1nc(-c2ccsc2)no1)c1cccnc1.
What is the InChIKey of N-(1-pyridin-3-ylethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is JFSPFHLUEBBEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-11(12-3-2-7-17-9-12)18-14(21)4-5-15-19-16(20-22-15)13-6-8-23-10-13/h2-3,6-11H,4-5H2,1H3,(H,18,21).
What are the key properties of N-(1-pyridin-3-ylethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(1-pyridin-3-ylethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 328.40 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-3-ylethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 18163088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).