6,6-dimethyl-4-phenyl-3-(2-phenylethenyl)-4,5-dihydrooxazine

C20H21NO — CID 134972730

IUPAC6,6-dimethyl-4-phenyl-3-(2-phenylethenyl)-4,5-dihydrooxazine
SMILESCC1(C)CC(c2ccccc2)C(C=Cc2ccccc2)=NO1
InChIInChI=1S/C20H21NO/c1-20(2)15-18(17-11-7-4-8-12-17)19(21-22-20)14-13-16-9-5-3-6-10-16/h3-14,18H,15H2,1-2H3
InChIKeyKKSFXTBWCFIXQQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP5.04
Rot. Bonds3

About 6,6-dimethyl-4-phenyl-3-(2-phenylethenyl)-4,5-dihydrooxazine

6,6-dimethyl-4-phenyl-3-(2-phenylethenyl)-4,5-dihydrooxazine (PubChem CID 134972730) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 6,6-dimethyl-4-phenyl-3-(2-phenylethenyl)-4,5-dihydrooxazine.

Molecular Properties

Compound Name6,6-dimethyl-4-phenyl-3-(2-phenylethenyl)-4,5-dihydrooxazine
PubChem CID134972730
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name6,6-dimethyl-4-phenyl-3-(2-phenylethenyl)-4,5-dihydrooxazine
SMILESCC1(C)CC(c2ccccc2)C(C=Cc2ccccc2)=NO1
InChIInChI=1S/C20H21NO/c1-20(2)15-18(17-11-7-4-8-12-17)19(21-22-20)14-13-16-9-5-3-6-10-16/h3-14,18H,15H2,1-2H3
InChIKeyKKSFXTBWCFIXQQ-UHFFFAOYSA-N
XLogP5.04
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.39
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Dihydro-5-methyl-3,4-diphenyl-5-isoxazolol
CID 10777254
(5R)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561450
(5S)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561453
4,5-Dihydro-5-methyl-3,5-diphenylisoxazole
CID 368754
5-Benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 13682273
1-(1-Hydroxycyclohexyl)-3-phenyl-1-propanone oxime
CID 5718752
3,5-Dibenzyl-4,5-dihydro-1,2-oxazole
CID 15270458
3,5,5-Triphenyl-4,5-dihydroisoxazole
CID 1205479
5-methyl-5-phenyl-3-(3-phenylpropyl)-4H-1,2-oxazole
CID 11821988
3-Phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 15445645
5-Benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole
CID 24881471
3,5-Bis(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 24881472

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-4-phenyl-3-(2-phenylethenyl)-4,5-dihydrooxazine?
The IUPAC name of 6,6-dimethyl-4-phenyl-3-(2-phenylethenyl)-4,5-dihydrooxazine (CID 134972730) is 6,6-dimethyl-4-phenyl-3-(2-phenylethenyl)-4,5-dihydrooxazine.
What is the SMILES notation for 6,6-dimethyl-4-phenyl-3-(2-phenylethenyl)-4,5-dihydrooxazine?
The canonical SMILES for 6,6-dimethyl-4-phenyl-3-(2-phenylethenyl)-4,5-dihydrooxazine is CC1(C)CC(c2ccccc2)C(C=Cc2ccccc2)=NO1.
What is the InChIKey of 6,6-dimethyl-4-phenyl-3-(2-phenylethenyl)-4,5-dihydrooxazine?
The InChIKey is KKSFXTBWCFIXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-20(2)15-18(17-11-7-4-8-12-17)19(21-22-20)14-13-16-9-5-3-6-10-16/h3-14,18H,15H2,1-2H3.
What are the key properties of 6,6-dimethyl-4-phenyl-3-(2-phenylethenyl)-4,5-dihydrooxazine?
6,6-dimethyl-4-phenyl-3-(2-phenylethenyl)-4,5-dihydrooxazine has a molecular weight of 291.39 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-4-phenyl-3-(2-phenylethenyl)-4,5-dihydrooxazine is sourced from PubChem (CID 134972730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).