3-methyl-5-phenyl-2,6-dihydro-1,3,4-oxadiazine

C10H12N2O — CID 102089655

IUPAC3-methyl-5-phenyl-2,6-dihydro-1,3,4-oxadiazine
SMILESCN1COCC(c2ccccc2)=N1
InChIInChI=1S/C10H12N2O/c1-12-8-13-7-10(11-12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeySIPHUUYKQFSOQY-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.31
Rot. Bonds1

About 3-methyl-5-phenyl-2,6-dihydro-1,3,4-oxadiazine

3-methyl-5-phenyl-2,6-dihydro-1,3,4-oxadiazine (PubChem CID 102089655) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-methyl-5-phenyl-2,6-dihydro-1,3,4-oxadiazine.

Molecular Properties

Compound Name3-methyl-5-phenyl-2,6-dihydro-1,3,4-oxadiazine
PubChem CID102089655
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3-methyl-5-phenyl-2,6-dihydro-1,3,4-oxadiazine
SMILESCN1COCC(c2ccccc2)=N1
InChIInChI=1S/C10H12N2O/c1-12-8-13-7-10(11-12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeySIPHUUYKQFSOQY-UHFFFAOYSA-N
XLogP1.31
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 14088933
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3-Methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-3,6-dihydro-2H-1,3,4-oxadiazine
CID 365916
(NZ)-N-(2-methoxy-1-phenylethylidene)hydroxylamine
CID 23278358
5-phenyl-3,6-dihydro-2H-1,4-oxazine
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(1Z)-1-(dimethylhydrazinylidene)-1-phenylpent-4-en-2-ol
CID 14470973
(1Z)-1-(dimethylhydrazinylidene)-2-methyl-1-phenylpent-4-en-2-ol
CID 14470974
o,p-Dimethoxyacetophenone oxime
CID 129739574
4-Phenyl-5,6-dihydro-1,3-oxazine
CID 129782952
2,5-Dimethyl-4-phenyl-5,6-dihydro-1,3-oxazine
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CID 134895946

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenyl-2,6-dihydro-1,3,4-oxadiazine?
The IUPAC name of 3-methyl-5-phenyl-2,6-dihydro-1,3,4-oxadiazine (CID 102089655) is 3-methyl-5-phenyl-2,6-dihydro-1,3,4-oxadiazine.
What is the SMILES notation for 3-methyl-5-phenyl-2,6-dihydro-1,3,4-oxadiazine?
The canonical SMILES for 3-methyl-5-phenyl-2,6-dihydro-1,3,4-oxadiazine is CN1COCC(c2ccccc2)=N1.
What is the InChIKey of 3-methyl-5-phenyl-2,6-dihydro-1,3,4-oxadiazine?
The InChIKey is SIPHUUYKQFSOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-12-8-13-7-10(11-12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of 3-methyl-5-phenyl-2,6-dihydro-1,3,4-oxadiazine?
3-methyl-5-phenyl-2,6-dihydro-1,3,4-oxadiazine has a molecular weight of 176.22 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenyl-2,6-dihydro-1,3,4-oxadiazine is sourced from PubChem (CID 102089655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).