6,6-dimethyl-2-phenyl-1,3-oxazine

C12H13NO — CID 58983033

IUPAC6,6-dimethyl-2-phenyl-1,3-oxazine
SMILESCC1(C)C=CN=C(c2ccccc2)O1
InChIInChI=1S/C12H13NO/c1-12(2)8-9-13-11(14-12)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyXWSOHYRNTYHUCV-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.76
Rot. Bonds1

About 6,6-dimethyl-2-phenyl-1,3-oxazine

6,6-dimethyl-2-phenyl-1,3-oxazine (PubChem CID 58983033) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 6,6-dimethyl-2-phenyl-1,3-oxazine.

Molecular Properties

Compound Name6,6-dimethyl-2-phenyl-1,3-oxazine
PubChem CID58983033
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name6,6-dimethyl-2-phenyl-1,3-oxazine
SMILESCC1(C)C=CN=C(c2ccccc2)O1
InChIInChI=1S/C12H13NO/c1-12(2)8-9-13-11(14-12)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyXWSOHYRNTYHUCV-UHFFFAOYSA-N
XLogP2.76
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenyl-2-oxazoline
CID 244030
2-Phenyl-5,6-dihydro-4H-1,3-oxazine
CID 293673
Mls002667700
CID 244135
2-(4-Methylphenyl)oxazoline
CID 3770227
5,6-Dihydro-4,4,6-trimethyl-2-phenyl-4H-1,3-oxazine
CID 569306
2-Phenyl-4,5,6,7-tetrahydro-1,3-oxazepine
CID 25213916
Methyl N-cyanobenzenecarboximidate
CID 111139
(5R)-5-(fluoromethyl)-5-methyl-2-phenyl-4H-1,3-oxazole
CID 89647479
5-Methylene-2-phenyl-4,5-dihydrooxazole
CID 10057790
(S)-4-isopropyl-2-phenyloxazoline
CID 10947327
4-Methyl-2-phenyloxazoline
CID 11469237
2-(3-Methylphenyl)-4,5-dihydro-1,3-oxazole
CID 14875991

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-phenyl-1,3-oxazine?
The IUPAC name of 6,6-dimethyl-2-phenyl-1,3-oxazine (CID 58983033) is 6,6-dimethyl-2-phenyl-1,3-oxazine.
What is the SMILES notation for 6,6-dimethyl-2-phenyl-1,3-oxazine?
The canonical SMILES for 6,6-dimethyl-2-phenyl-1,3-oxazine is CC1(C)C=CN=C(c2ccccc2)O1.
What is the InChIKey of 6,6-dimethyl-2-phenyl-1,3-oxazine?
The InChIKey is XWSOHYRNTYHUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-12(2)8-9-13-11(14-12)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of 6,6-dimethyl-2-phenyl-1,3-oxazine?
6,6-dimethyl-2-phenyl-1,3-oxazine has a molecular weight of 187.24 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-phenyl-1,3-oxazine is sourced from PubChem (CID 58983033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).