1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-4-methylpyridin-2-one

C17H16N2O3 — CID 71855082

IUPAC1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-4-methylpyridin-2-one
SMILESCOc1ccc(-c2cnc(Cn3ccc(C)cc3=O)o2)cc1
InChIInChI=1S/C17H16N2O3/c1-12-7-8-19(17(20)9-12)11-16-18-10-15(22-16)13-3-5-14(21-2)6-4-13/h3-10H,11H2,1-2H3
InChIKeyCWZWABIVYJHGIX-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.87
Rot. Bonds4

About 1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-4-methylpyridin-2-one

1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-4-methylpyridin-2-one (PubChem CID 71855082) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-4-methylpyridin-2-one
PubChem CID71855082
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-4-methylpyridin-2-one
SMILESCOc1ccc(-c2cnc(Cn3ccc(C)cc3=O)o2)cc1
InChIInChI=1S/C17H16N2O3/c1-12-7-8-19(17(20)9-12)11-16-18-10-15(22-16)13-3-5-14(21-2)6-4-13/h3-10H,11H2,1-2H3
InChIKeyCWZWABIVYJHGIX-UHFFFAOYSA-N
XLogP2.87
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-4-methylpyridin-2-one?
The IUPAC name of 1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-4-methylpyridin-2-one (CID 71855082) is 1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-4-methylpyridin-2-one is COc1ccc(-c2cnc(Cn3ccc(C)cc3=O)o2)cc1.
What is the InChIKey of 1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-4-methylpyridin-2-one?
The InChIKey is CWZWABIVYJHGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-12-7-8-19(17(20)9-12)11-16-18-10-15(22-16)13-3-5-14(21-2)6-4-13/h3-10H,11H2,1-2H3.
What are the key properties of 1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-4-methylpyridin-2-one?
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-4-methylpyridin-2-one has a molecular weight of 296.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-4-methylpyridin-2-one is sourced from PubChem (CID 71855082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).