N-(1,2-oxazol-5-ylmethyl)-2-oxo-1H-pyridine-4-carboxamide

C10H9N3O3 — CID 103939763

IUPACN-(1,2-oxazol-5-ylmethyl)-2-oxo-1H-pyridine-4-carboxamide
SMILESO=C(NCc1ccno1)c1cc[nH]c(=O)c1
InChIInChI=1S/C10H9N3O3/c14-9-5-7(1-3-11-9)10(15)12-6-8-2-4-13-16-8/h1-5H,6H2,(H,11,14)(H,12,15)
InChIKeyWMFQNTIYGPLYGE-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.29
Rot. Bonds3

About N-(1,2-oxazol-5-ylmethyl)-2-oxo-1H-pyridine-4-carboxamide

N-(1,2-oxazol-5-ylmethyl)-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 103939763) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)-2-oxo-1H-pyridine-4-carboxamide
PubChem CID103939763
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC NameN-(1,2-oxazol-5-ylmethyl)-2-oxo-1H-pyridine-4-carboxamide
SMILESO=C(NCc1ccno1)c1cc[nH]c(=O)c1
InChIInChI=1S/C10H9N3O3/c14-9-5-7(1-3-11-9)10(15)12-6-8-2-4-13-16-8/h1-5H,6H2,(H,11,14)(H,12,15)
InChIKeyWMFQNTIYGPLYGE-UHFFFAOYSA-N
XLogP0.29
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)-2-oxo-1H-pyridine-4-carboxamide (CID 103939763) is N-(1,2-oxazol-5-ylmethyl)-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)-2-oxo-1H-pyridine-4-carboxamide is O=C(NCc1ccno1)c1cc[nH]c(=O)c1.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is WMFQNTIYGPLYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c14-9-5-7(1-3-11-9)10(15)12-6-8-2-4-13-16-8/h1-5H,6H2,(H,11,14)(H,12,15).
What are the key properties of N-(1,2-oxazol-5-ylmethyl)-2-oxo-1H-pyridine-4-carboxamide?
N-(1,2-oxazol-5-ylmethyl)-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 219.20 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 103939763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).