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

C15H14N4O2S — CID 5230770

IUPACN-(4-methyl-2-pyridinyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1ccnc(NC(=O)CCc2nc(-c3cccs3)no2)c1
InChIInChI=1S/C15H14N4O2S/c1-10-6-7-16-12(9-10)17-13(20)4-5-14-18-15(19-21-14)11-3-2-8-22-11/h2-3,6-9H,4-5H2,1H3,(H,16,17,20)
InChIKeyZQGTUXOMSJOUMS-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.07
Rot. Bonds5

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

N-(4-methyl-2-pyridinyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 5230770) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID5230770
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC NameN-(4-methyl-2-pyridinyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1ccnc(NC(=O)CCc2nc(-c3cccs3)no2)c1
InChIInChI=1S/C15H14N4O2S/c1-10-6-7-16-12(9-10)17-13(20)4-5-14-18-15(19-21-14)11-3-2-8-22-11/h2-3,6-9H,4-5H2,1H3,(H,16,17,20)
InChIKeyZQGTUXOMSJOUMS-UHFFFAOYSA-N
XLogP3.07
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 5230770) is N-(4-methyl-2-pyridinyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is Cc1ccnc(NC(=O)CCc2nc(-c3cccs3)no2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is ZQGTUXOMSJOUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-10-6-7-16-12(9-10)17-13(20)4-5-14-18-15(19-21-14)11-3-2-8-22-11/h2-3,6-9H,4-5H2,1H3,(H,16,17,20).
What are the key properties of N-(4-methyl-2-pyridinyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(4-methyl-2-pyridinyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 314.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 5230770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).