3-(2-methylphenyl)-4H-1,2,4-oxadiazin-5-one

C10H10N2O2 — CID 137175529

IUPAC3-(2-methylphenyl)-4H-1,2,4-oxadiazin-5-one
SMILESCc1ccccc1C1=NOCC(=O)N1
InChIInChI=1S/C10H10N2O2/c1-7-4-2-3-5-8(7)10-11-9(13)6-14-12-10/h2-5H,6H2,1H3,(H,11,12,13)
InChIKeyULPCIMUKZOBHLW-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.80
Rot. Bonds1

About 3-(2-methylphenyl)-4H-1,2,4-oxadiazin-5-one

3-(2-methylphenyl)-4H-1,2,4-oxadiazin-5-one (PubChem CID 137175529) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-(2-methylphenyl)-4H-1,2,4-oxadiazin-5-one.

Molecular Properties

Compound Name3-(2-methylphenyl)-4H-1,2,4-oxadiazin-5-one
PubChem CID137175529
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name3-(2-methylphenyl)-4H-1,2,4-oxadiazin-5-one
SMILESCc1ccccc1C1=NOCC(=O)N1
InChIInChI=1S/C10H10N2O2/c1-7-4-2-3-5-8(7)10-11-9(13)6-14-12-10/h2-5H,6H2,1H3,(H,11,12,13)
InChIKeyULPCIMUKZOBHLW-UHFFFAOYSA-N
XLogP0.80
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-4H-1,2,4-oxadiazin-5-one
CID 135848430
3-[2-[4-[[4-butyl-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-methyl-6-oxopyrimidin-5-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazin-5-one
CID 143886332
3-(2-methylphenyl)-4H-1,2-oxazole-5,5-dicarboxylic acid
CID 175539992
4,5-dimethyl-2-(2-methylphenyl)-1H-imidazole-4,5-diol
CID 45093598
3-methylidene-5-(2-methylphenyl)-1,2-dihydro-1,2,4-triazole
CID 142891936
7-methyl-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 59966583
(4E)-2-(2-methylphenyl)-4-(pyridin-4-ylmethylidene)-1H-imidazol-5-one
CID 136893303
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
5-(2-methylphenyl)-1,2-oxazol-3-one
CID 19596684
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2,5-dione
CID 136572226
2-(2-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 112708342

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-4H-1,2,4-oxadiazin-5-one?
The IUPAC name of 3-(2-methylphenyl)-4H-1,2,4-oxadiazin-5-one (CID 137175529) is 3-(2-methylphenyl)-4H-1,2,4-oxadiazin-5-one.
What is the SMILES notation for 3-(2-methylphenyl)-4H-1,2,4-oxadiazin-5-one?
The canonical SMILES for 3-(2-methylphenyl)-4H-1,2,4-oxadiazin-5-one is Cc1ccccc1C1=NOCC(=O)N1.
What is the InChIKey of 3-(2-methylphenyl)-4H-1,2,4-oxadiazin-5-one?
The InChIKey is ULPCIMUKZOBHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7-4-2-3-5-8(7)10-11-9(13)6-14-12-10/h2-5H,6H2,1H3,(H,11,12,13).
What are the key properties of 3-(2-methylphenyl)-4H-1,2,4-oxadiazin-5-one?
3-(2-methylphenyl)-4H-1,2,4-oxadiazin-5-one has a molecular weight of 190.20 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-4H-1,2,4-oxadiazin-5-one is sourced from PubChem (CID 137175529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).