2-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide

C10H9N3O2 — CID 118471265

IUPAC2-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1coc(Cc2ccncc2)n1
InChIInChI=1S/C10H9N3O2/c11-10(14)8-6-15-9(13-8)5-7-1-3-12-4-2-7/h1-4,6H,5H2,(H2,11,14)
InChIKeyXMEJDHRIKFLMPY-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.76
Rot. Bonds3

About 2-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide

2-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 118471265) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID118471265
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name2-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1coc(Cc2ccncc2)n1
InChIInChI=1S/C10H9N3O2/c11-10(14)8-6-15-9(13-8)5-7-1-3-12-4-2-7/h1-4,6H,5H2,(H2,11,14)
InChIKeyXMEJDHRIKFLMPY-UHFFFAOYSA-N
XLogP0.76
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide (CID 118471265) is 2-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide is NC(=O)c1coc(Cc2ccncc2)n1.
What is the InChIKey of 2-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is XMEJDHRIKFLMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-10(14)8-6-15-9(13-8)5-7-1-3-12-4-2-7/h1-4,6H,5H2,(H2,11,14).
What are the key properties of 2-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide?
2-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 203.20 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118471265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).