6,6-dimethyl-5-phenyl-2,5-dihydro-1,2,4-oxadiazine

C11H14N2O — CID 145262835

IUPAC6,6-dimethyl-5-phenyl-2,5-dihydro-1,2,4-oxadiazine
SMILESCC1(C)ONC=NC1c1ccccc1
InChIInChI=1S/C11H14N2O/c1-11(2)10(12-8-13-14-11)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,12,13)
InChIKeyIPNGHEDTXJWFPU-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.07
Rot. Bonds1

About 6,6-dimethyl-5-phenyl-2,5-dihydro-1,2,4-oxadiazine

6,6-dimethyl-5-phenyl-2,5-dihydro-1,2,4-oxadiazine (PubChem CID 145262835) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 6,6-dimethyl-5-phenyl-2,5-dihydro-1,2,4-oxadiazine.

Molecular Properties

Compound Name6,6-dimethyl-5-phenyl-2,5-dihydro-1,2,4-oxadiazine
PubChem CID145262835
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name6,6-dimethyl-5-phenyl-2,5-dihydro-1,2,4-oxadiazine
SMILESCC1(C)ONC=NC1c1ccccc1
InChIInChI=1S/C11H14N2O/c1-11(2)10(12-8-13-14-11)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,12,13)
InChIKeyIPNGHEDTXJWFPU-UHFFFAOYSA-N
XLogP2.07
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Amino-2-methyl-1-phenylpropan-2-ol
CID 436484
(S)-1-amino-2-methyl-1-phenylpropan-2-ol
CID 46941324
5-[4-(2-fluorocyclohexa-1,5-dien-1-yl)phenyl]-5-methyl-2H-1,2,4-oxadiazole
CID 163401178
(1R)-1-amino-2-methyl-1-phenylpropan-2-ol
CID 11240681
4,5-Dihydro-5-methyl-4-phenyl-2-oxazolamine
CID 12352924
(4S,5R)-4,5-Dihydro-5-methyl-4-phenyl-2-oxazolamine
CID 12352925
5,5-dimethyl-4-phenyl-4H-1,3-oxazole
CID 15903719
5-methyl-5-phenyl-2H-1,2,4-oxadiazole
CID 17951773
2-[(1S)-2-hydroxy-1-phenylethyl]guanidine
CID 20729522
2-(2-Hydroxy-1-phenylethyl)guanidine
CID 20729523
2-[(S)-amino(phenyl)methyl]-1,1,1,3,3,3-hexadeuterio(1,3-13C2)propan-2-ol
CID 58291890
2,5-dimethyl-5-phenyl-6H-1,2,4-oxadiazin-3-amine
CID 58646306

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-5-phenyl-2,5-dihydro-1,2,4-oxadiazine?
The IUPAC name of 6,6-dimethyl-5-phenyl-2,5-dihydro-1,2,4-oxadiazine (CID 145262835) is 6,6-dimethyl-5-phenyl-2,5-dihydro-1,2,4-oxadiazine.
What is the SMILES notation for 6,6-dimethyl-5-phenyl-2,5-dihydro-1,2,4-oxadiazine?
The canonical SMILES for 6,6-dimethyl-5-phenyl-2,5-dihydro-1,2,4-oxadiazine is CC1(C)ONC=NC1c1ccccc1.
What is the InChIKey of 6,6-dimethyl-5-phenyl-2,5-dihydro-1,2,4-oxadiazine?
The InChIKey is IPNGHEDTXJWFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-11(2)10(12-8-13-14-11)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,12,13).
What are the key properties of 6,6-dimethyl-5-phenyl-2,5-dihydro-1,2,4-oxadiazine?
6,6-dimethyl-5-phenyl-2,5-dihydro-1,2,4-oxadiazine has a molecular weight of 190.25 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-5-phenyl-2,5-dihydro-1,2,4-oxadiazine is sourced from PubChem (CID 145262835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).