2,5-dimethyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine

C12H15NO — CID 605013

IUPAC2,5-dimethyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine
SMILESCC1=NC(c2ccccc2)C(C)CO1
InChIInChI=1S/C12H15NO/c1-9-8-14-10(2)13-12(9)11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3
InChIKeyJMBQLCDYWGQBHI-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.81
Rot. Bonds1

About 2,5-dimethyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine

2,5-dimethyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 605013) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2,5-dimethyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2,5-dimethyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID605013
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2,5-dimethyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine
SMILESCC1=NC(c2ccccc2)C(C)CO1
InChIInChI=1S/C12H15NO/c1-9-8-14-10(2)13-12(9)11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3
InChIKeyJMBQLCDYWGQBHI-UHFFFAOYSA-N
XLogP2.81
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

AG-H-02521
CID 5325154
4-Benzyl-2-methyl-4,5-dihydro-1,3-oxazole
CID 4692621
(4R)-4-phenyl-2-(4,4,4-trifluoro-3-methylbutyl)-4,5-dihydro-1,3-oxazole
CID 134858563
(4R)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 10931742
(2S,5R)-2,5-dihydro-2-isopropyl-3,6-dimethoxy-5-benzyl-5-methylpyrazine
CID 10989847
Oxazole, 2-(1,1-dimethylethyl)-4,5-dihydro-4-phenyl-, (R)-
CID 11041847
(4S)-4-benzyl-2-ethyl-4,5-dihydro-1,3-oxazole
CID 12694682
(4S)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 15619834
2,4-dimethyl-4-phenyl-5H-1,3-oxazole
CID 70189853
N-(methoxy-2-propylidene)benzylamine
CID 71604915
6-Methoxy-2-phenyl-2,3,4,5-tetrahydropyridine
CID 101728541
(4S)-2-ethyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 102475498

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2,5-dimethyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine (CID 605013) is 2,5-dimethyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2,5-dimethyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2,5-dimethyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine is CC1=NC(c2ccccc2)C(C)CO1.
What is the InChIKey of 2,5-dimethyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is JMBQLCDYWGQBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-8-14-10(2)13-12(9)11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine?
2,5-dimethyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 189.26 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-phenyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 605013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).