5,6,6-trimethyl-3-phenyl-4,5-dihydrooxazine

C13H17NO — CID 91714321

IUPAC5,6,6-trimethyl-3-phenyl-4,5-dihydrooxazine
SMILESCC1CC(c2ccccc2)=NOC1(C)C
InChIInChI=1S/C13H17NO/c1-10-9-12(14-15-13(10,2)3)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyMQUMZIPQWGBFCK-UHFFFAOYSA-N
MW203.29 g/mol
LogP3.23
Rot. Bonds1

About 5,6,6-trimethyl-3-phenyl-4,5-dihydrooxazine

5,6,6-trimethyl-3-phenyl-4,5-dihydrooxazine (PubChem CID 91714321) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 5,6,6-trimethyl-3-phenyl-4,5-dihydrooxazine.

Molecular Properties

Compound Name5,6,6-trimethyl-3-phenyl-4,5-dihydrooxazine
PubChem CID91714321
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name5,6,6-trimethyl-3-phenyl-4,5-dihydrooxazine
SMILESCC1CC(c2ccccc2)=NOC1(C)C
InChIInChI=1S/C13H17NO/c1-10-9-12(14-15-13(10,2)3)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyMQUMZIPQWGBFCK-UHFFFAOYSA-N
XLogP3.23
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Dihydro-5-methyl-3,5-diphenylisoxazole
CID 368754
1-(1-Hydroxycyclohexyl)-3-phenyl-1-propanone oxime
CID 5718752
cis-3-Phenyl-4,5-tetramethyleneisoxazoline
CID 12999871
3-Phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 15445645
3-Benzyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 24881813
3-Phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride
CID 44585630
Isoxazole, 4,5-dihydro-3-phenyl-
CID 840162
3-Phenyl-5-methylisoxazoline
CID 12228204
(E)-N-methoxy-1-phenylpentan-1-imine
CID 12639724
5-Isopropyl-3-phenyl-4,5-dihydroisoxazole
CID 86056955
5,5-dimethyl-3-phenyl-4H-1,2-oxazole
CID 101843022
5-Butyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 135041813

Frequently Asked Questions

What is the IUPAC name of 5,6,6-trimethyl-3-phenyl-4,5-dihydrooxazine?
The IUPAC name of 5,6,6-trimethyl-3-phenyl-4,5-dihydrooxazine (CID 91714321) is 5,6,6-trimethyl-3-phenyl-4,5-dihydrooxazine.
What is the SMILES notation for 5,6,6-trimethyl-3-phenyl-4,5-dihydrooxazine?
The canonical SMILES for 5,6,6-trimethyl-3-phenyl-4,5-dihydrooxazine is CC1CC(c2ccccc2)=NOC1(C)C.
What is the InChIKey of 5,6,6-trimethyl-3-phenyl-4,5-dihydrooxazine?
The InChIKey is MQUMZIPQWGBFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10-9-12(14-15-13(10,2)3)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3.
What are the key properties of 5,6,6-trimethyl-3-phenyl-4,5-dihydrooxazine?
5,6,6-trimethyl-3-phenyl-4,5-dihydrooxazine has a molecular weight of 203.29 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,6-trimethyl-3-phenyl-4,5-dihydrooxazine is sourced from PubChem (CID 91714321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).