N-pyridin-3-yl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C13H9N3O2S — CID 3243923

IUPACN-pyridin-3-yl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(-c2cccs2)on1
InChIInChI=1S/C13H9N3O2S/c17-13(15-9-3-1-5-14-8-9)10-7-11(18-16-10)12-4-2-6-19-12/h1-8H,(H,15,17)
InChIKeyWVJJNHDCGJHYKH-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.05
Rot. Bonds3

About N-pyridin-3-yl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-pyridin-3-yl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 3243923) has the molecular formula C13H9N3O2S and a molecular weight of 271.30 g/mol. Its IUPAC name is N-pyridin-3-yl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID3243923
Molecular FormulaC13H9N3O2S
Molecular Weight271.30 g/mol
Exact Mass271.04
IUPAC NameN-pyridin-3-yl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(-c2cccs2)on1
InChIInChI=1S/C13H9N3O2S/c17-13(15-9-3-1-5-14-8-9)10-7-11(18-16-10)12-4-2-6-19-12/h1-8H,(H,15,17)
InChIKeyWVJJNHDCGJHYKH-UHFFFAOYSA-N
XLogP3.05
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-pyridin-3-yl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 3243923) is N-pyridin-3-yl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-pyridin-3-yl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-pyridin-3-yl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(Nc1cccnc1)c1cc(-c2cccs2)on1.
What is the InChIKey of N-pyridin-3-yl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is WVJJNHDCGJHYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2S/c17-13(15-9-3-1-5-14-8-9)10-7-11(18-16-10)12-4-2-6-19-12/h1-8H,(H,15,17).
What are the key properties of N-pyridin-3-yl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-pyridin-3-yl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 271.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3243923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).