N-(5-chloro-2-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C13H8ClN3O2S — CID 17013198

IUPACN-(5-chloro-2-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1cc(-c2cccs2)on1
InChIInChI=1S/C13H8ClN3O2S/c14-8-3-4-12(15-7-8)16-13(18)9-6-10(19-17-9)11-2-1-5-20-11/h1-7H,(H,15,16,18)
InChIKeyNNXYLYYEMGKHMG-UHFFFAOYSA-N
MW305.75 g/mol
LogP3.70
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-(5-chloro-2-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 17013198) has the molecular formula C13H8ClN3O2S and a molecular weight of 305.75 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID17013198
Molecular FormulaC13H8ClN3O2S
Molecular Weight305.75 g/mol
Exact Mass305.00
IUPAC NameN-(5-chloro-2-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1cc(-c2cccs2)on1
InChIInChI=1S/C13H8ClN3O2S/c14-8-3-4-12(15-7-8)16-13(18)9-6-10(19-17-9)11-2-1-5-20-11/h1-7H,(H,15,16,18)
InChIKeyNNXYLYYEMGKHMG-UHFFFAOYSA-N
XLogP3.70
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.75
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 17013198) is N-(5-chloro-2-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(Nc1ccc(Cl)cn1)c1cc(-c2cccs2)on1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is NNXYLYYEMGKHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2S/c14-8-3-4-12(15-7-8)16-13(18)9-6-10(19-17-9)11-2-1-5-20-11/h1-7H,(H,15,16,18).
What are the key properties of N-(5-chloro-2-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(5-chloro-2-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 305.75 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17013198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).