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

C12H8N2O3 — CID 2812521

IUPAC5-methyl-2-(1,2-oxazol-5-yl)-3,1-benzoxazin-4-one
SMILESCc1cccc2nc(-c3ccno3)oc(=O)c12
InChIInChI=1S/C12H8N2O3/c1-7-3-2-4-8-10(7)12(15)16-11(14-8)9-5-6-13-17-9/h2-6H,1H3
InChIKeyOGLFSSSMWXUBCS-UHFFFAOYSA-N
MW228.21 g/mol
LogP2.15
Rot. Bonds1

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

5-methyl-2-(1,2-oxazol-5-yl)-3,1-benzoxazin-4-one (PubChem CID 2812521) has the molecular formula C12H8N2O3 and a molecular weight of 228.21 g/mol. Its IUPAC name is 5-methyl-2-(1,2-oxazol-5-yl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name5-methyl-2-(1,2-oxazol-5-yl)-3,1-benzoxazin-4-one
PubChem CID2812521
Molecular FormulaC12H8N2O3
Molecular Weight228.21 g/mol
Exact Mass228.05
IUPAC Name5-methyl-2-(1,2-oxazol-5-yl)-3,1-benzoxazin-4-one
SMILESCc1cccc2nc(-c3ccno3)oc(=O)c12
InChIInChI=1S/C12H8N2O3/c1-7-3-2-4-8-10(7)12(15)16-11(14-8)9-5-6-13-17-9/h2-6H,1H3
InChIKeyOGLFSSSMWXUBCS-UHFFFAOYSA-N
XLogP2.15
TPSA69.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1,2-oxazol-5-yl)-3,1-benzoxazin-4-one?
The IUPAC name of 5-methyl-2-(1,2-oxazol-5-yl)-3,1-benzoxazin-4-one (CID 2812521) is 5-methyl-2-(1,2-oxazol-5-yl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 5-methyl-2-(1,2-oxazol-5-yl)-3,1-benzoxazin-4-one?
The canonical SMILES for 5-methyl-2-(1,2-oxazol-5-yl)-3,1-benzoxazin-4-one is Cc1cccc2nc(-c3ccno3)oc(=O)c12.
What is the InChIKey of 5-methyl-2-(1,2-oxazol-5-yl)-3,1-benzoxazin-4-one?
The InChIKey is OGLFSSSMWXUBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3/c1-7-3-2-4-8-10(7)12(15)16-11(14-8)9-5-6-13-17-9/h2-6H,1H3.
What are the key properties of 5-methyl-2-(1,2-oxazol-5-yl)-3,1-benzoxazin-4-one?
5-methyl-2-(1,2-oxazol-5-yl)-3,1-benzoxazin-4-one has a molecular weight of 228.21 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1,2-oxazol-5-yl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 2812521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).