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

C14H11N3O2S — CID 3239163

IUPACN-(pyridin-3-ylmethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(-c2cccs2)on1
InChIInChI=1S/C14H11N3O2S/c18-14(16-9-10-3-1-5-15-8-10)11-7-12(19-17-11)13-4-2-6-20-13/h1-8H,9H2,(H,16,18)
InChIKeyIPIDJZYBVMPTGF-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.73
Rot. Bonds4

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

N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 3239163) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID3239163
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC NameN-(pyridin-3-ylmethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(-c2cccs2)on1
InChIInChI=1S/C14H11N3O2S/c18-14(16-9-10-3-1-5-15-8-10)11-7-12(19-17-11)13-4-2-6-20-13/h1-8H,9H2,(H,16,18)
InChIKeyIPIDJZYBVMPTGF-UHFFFAOYSA-N
XLogP2.73
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 3239163) is N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(NCc1cccnc1)c1cc(-c2cccs2)on1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is IPIDJZYBVMPTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c18-14(16-9-10-3-1-5-15-8-10)11-7-12(19-17-11)13-4-2-6-20-13/h1-8H,9H2,(H,16,18).
What are the key properties of N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3239163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).