2-methyl-5-phenyl-1,3,4-oxadiazin-6-one

C10H8N2O2 — CID 10867098

IUPAC2-methyl-5-phenyl-1,3,4-oxadiazin-6-one
SMILESCc1nnc(-c2ccccc2)c(=O)o1
InChIInChI=1S/C10H8N2O2/c1-7-11-12-9(10(13)14-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyIXYFRBIDWYHWFE-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.41
Rot. Bonds1

About 2-methyl-5-phenyl-1,3,4-oxadiazin-6-one

2-methyl-5-phenyl-1,3,4-oxadiazin-6-one (PubChem CID 10867098) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-methyl-5-phenyl-1,3,4-oxadiazin-6-one.

Molecular Properties

Compound Name2-methyl-5-phenyl-1,3,4-oxadiazin-6-one
PubChem CID10867098
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name2-methyl-5-phenyl-1,3,4-oxadiazin-6-one
SMILESCc1nnc(-c2ccccc2)c(=O)o1
InChIInChI=1S/C10H8N2O2/c1-7-11-12-9(10(13)14-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyIXYFRBIDWYHWFE-UHFFFAOYSA-N
XLogP1.41
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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4-(Trifluoromethyl)phenyldiazoacetic acid methyl ester
CID 73115612
Methyl 2-diazo-2-(4-fluorophenyl)acetate
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ethyl (2E)-2-diazo-2-[4-(trifluoromethyl)phenyl]acetate
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-1,3,4-oxadiazin-6-one?
The IUPAC name of 2-methyl-5-phenyl-1,3,4-oxadiazin-6-one (CID 10867098) is 2-methyl-5-phenyl-1,3,4-oxadiazin-6-one.
What is the SMILES notation for 2-methyl-5-phenyl-1,3,4-oxadiazin-6-one?
The canonical SMILES for 2-methyl-5-phenyl-1,3,4-oxadiazin-6-one is Cc1nnc(-c2ccccc2)c(=O)o1.
What is the InChIKey of 2-methyl-5-phenyl-1,3,4-oxadiazin-6-one?
The InChIKey is IXYFRBIDWYHWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-7-11-12-9(10(13)14-7)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 2-methyl-5-phenyl-1,3,4-oxadiazin-6-one?
2-methyl-5-phenyl-1,3,4-oxadiazin-6-one has a molecular weight of 188.19 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-1,3,4-oxadiazin-6-one is sourced from PubChem (CID 10867098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).