5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1,2-oxazol-3-yl)pyridin-2-one

C19H16N4O2 — CID 135355155

IUPAC5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1,2-oxazol-3-yl)pyridin-2-one
SMILESCn1cc(-c2cnn(Cc3ccccc3)c2)c(-c2ccon2)cc1=O
InChIInChI=1S/C19H16N4O2/c1-22-13-17(16(9-19(22)24)18-7-8-25-21-18)15-10-20-23(12-15)11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3
InChIKeyNTKHBSWZEOEHGO-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.95
Rot. Bonds4

About 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1,2-oxazol-3-yl)pyridin-2-one

5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1,2-oxazol-3-yl)pyridin-2-one (PubChem CID 135355155) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1,2-oxazol-3-yl)pyridin-2-one.

Molecular Properties

Compound Name5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1,2-oxazol-3-yl)pyridin-2-one
PubChem CID135355155
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1,2-oxazol-3-yl)pyridin-2-one
SMILESCn1cc(-c2cnn(Cc3ccccc3)c2)c(-c2ccon2)cc1=O
InChIInChI=1S/C19H16N4O2/c1-22-13-17(16(9-19(22)24)18-7-8-25-21-18)15-10-20-23(12-15)11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3
InChIKeyNTKHBSWZEOEHGO-UHFFFAOYSA-N
XLogP2.95
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1,2-oxazol-3-yl)pyridin-2-one?
The IUPAC name of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1,2-oxazol-3-yl)pyridin-2-one (CID 135355155) is 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1,2-oxazol-3-yl)pyridin-2-one.
What is the SMILES notation for 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1,2-oxazol-3-yl)pyridin-2-one?
The canonical SMILES for 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1,2-oxazol-3-yl)pyridin-2-one is Cn1cc(-c2cnn(Cc3ccccc3)c2)c(-c2ccon2)cc1=O.
What is the InChIKey of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1,2-oxazol-3-yl)pyridin-2-one?
The InChIKey is NTKHBSWZEOEHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-22-13-17(16(9-19(22)24)18-7-8-25-21-18)15-10-20-23(12-15)11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3.
What are the key properties of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1,2-oxazol-3-yl)pyridin-2-one?
5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1,2-oxazol-3-yl)pyridin-2-one has a molecular weight of 332.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1,2-oxazol-3-yl)pyridin-2-one is sourced from PubChem (CID 135355155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).