5-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-1,3-oxazole-4-carboxamide

C13H14N4O3 — CID 74231942

IUPAC5-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NCCNC(=O)c1cccnc1
InChIInChI=1S/C13H14N4O3/c1-9-11(17-8-20-9)13(19)16-6-5-15-12(18)10-3-2-4-14-7-10/h2-4,7-8H,5-6H2,1H3,(H,15,18)(H,16,19)
InChIKeyPFZPXVADJLDMJL-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.54
Rot. Bonds5

About 5-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-1,3-oxazole-4-carboxamide

5-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 74231942) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID74231942
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name5-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NCCNC(=O)c1cccnc1
InChIInChI=1S/C13H14N4O3/c1-9-11(17-8-20-9)13(19)16-6-5-15-12(18)10-3-2-4-14-7-10/h2-4,7-8H,5-6H2,1H3,(H,15,18)(H,16,19)
InChIKeyPFZPXVADJLDMJL-UHFFFAOYSA-N
XLogP0.54
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-1,3-oxazole-4-carboxamide (CID 74231942) is 5-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NCCNC(=O)c1cccnc1.
What is the InChIKey of 5-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is PFZPXVADJLDMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-9-11(17-8-20-9)13(19)16-6-5-15-12(18)10-3-2-4-14-7-10/h2-4,7-8H,5-6H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 5-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-1,3-oxazole-4-carboxamide?
5-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 74231942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).