5-methyl-N-[(2-methylphenyl)methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxamide

C16H15N3O3 — CID 11998569

IUPAC5-methyl-N-[(2-methylphenyl)methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxamide
SMILESCc1ccc2oc(=O)n(C(=O)NCc3ccccc3C)c2n1
InChIInChI=1S/C16H15N3O3/c1-10-5-3-4-6-12(10)9-17-15(20)19-14-13(22-16(19)21)8-7-11(2)18-14/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyJYYLFAAFVBPOCD-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.36
Rot. Bonds2

About 5-methyl-N-[(2-methylphenyl)methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxamide

5-methyl-N-[(2-methylphenyl)methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxamide (PubChem CID 11998569) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 5-methyl-N-[(2-methylphenyl)methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(2-methylphenyl)methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxamide
PubChem CID11998569
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name5-methyl-N-[(2-methylphenyl)methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxamide
SMILESCc1ccc2oc(=O)n(C(=O)NCc3ccccc3C)c2n1
InChIInChI=1S/C16H15N3O3/c1-10-5-3-4-6-12(10)9-17-15(20)19-14-13(22-16(19)21)8-7-11(2)18-14/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyJYYLFAAFVBPOCD-UHFFFAOYSA-N
XLogP2.36
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2-methylphenyl)methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxamide?
The IUPAC name of 5-methyl-N-[(2-methylphenyl)methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxamide (CID 11998569) is 5-methyl-N-[(2-methylphenyl)methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(2-methylphenyl)methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(2-methylphenyl)methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxamide is Cc1ccc2oc(=O)n(C(=O)NCc3ccccc3C)c2n1.
What is the InChIKey of 5-methyl-N-[(2-methylphenyl)methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxamide?
The InChIKey is JYYLFAAFVBPOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-10-5-3-4-6-12(10)9-17-15(20)19-14-13(22-16(19)21)8-7-11(2)18-14/h3-8H,9H2,1-2H3,(H,17,20).
What are the key properties of 5-methyl-N-[(2-methylphenyl)methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxamide?
5-methyl-N-[(2-methylphenyl)methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2-methylphenyl)methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxamide is sourced from PubChem (CID 11998569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).