4,4-dimethyl-2-naphthalen-1-yl-5,6-dihydro-1,3-oxazine

C16H17NO — CID 100923139

IUPAC4,4-dimethyl-2-naphthalen-1-yl-5,6-dihydro-1,3-oxazine
SMILESCC1(C)CCOC(c2cccc3ccccc23)=N1
InChIInChI=1S/C16H17NO/c1-16(2)10-11-18-15(17-16)14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,10-11H2,1-2H3
InChIKeyXCOUGIQDPSXNLY-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.79
Rot. Bonds1

About 4,4-dimethyl-2-naphthalen-1-yl-5,6-dihydro-1,3-oxazine

4,4-dimethyl-2-naphthalen-1-yl-5,6-dihydro-1,3-oxazine (PubChem CID 100923139) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 4,4-dimethyl-2-naphthalen-1-yl-5,6-dihydro-1,3-oxazine.

Molecular Properties

Compound Name4,4-dimethyl-2-naphthalen-1-yl-5,6-dihydro-1,3-oxazine
PubChem CID100923139
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name4,4-dimethyl-2-naphthalen-1-yl-5,6-dihydro-1,3-oxazine
SMILESCC1(C)CCOC(c2cccc3ccccc23)=N1
InChIInChI=1S/C16H17NO/c1-16(2)10-11-18-15(17-16)14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,10-11H2,1-2H3
InChIKeyXCOUGIQDPSXNLY-UHFFFAOYSA-N
XLogP3.79
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Isopropyl-2-(1-naphthyl)-2-oxazoline
CID 9547837
4,4-Dimethyl-2-(4'-methyl-2-biphenylyl)-2-oxazoline
CID 688301
2-(2-Naphthyl)-2-oxazoline
CID 12776826
2-[1-(3,5-dimethylphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 3718820
2-([1,1'-Biphenyl]-2-yl)-4,4-dimethyl-4,5-dihydrooxazole
CID 395641
4H-1,3-Oxazine, 5,6-dihydro-2-(2-(1-naphthalenyl)ethenyl)-4,4,6-trimethyl-, hydrochloride, (E)-
CID 6447780
Ethyl naphthalene-2-carboximidate hydrochloride
CID 86674302
Ethyl naphthalene-2-carboximidate
CID 13524333
4,4-dimethyl-2-[2-phenyl-5-(trifluoromethyl)phenyl]-5H-1,3-oxazole
CID 70232877
2-Naphthalen-1-yl-4,5-dihydro-1,3-oxazole
CID 293474
4,4-dimethyl-2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-5H-1,3-oxazole
CID 23584346
4-Isopropyl-2-tricyclo[8.2.2.2~4,7~]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl-4,5-dihydro-1,3-oxazole
CID 7314597

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-naphthalen-1-yl-5,6-dihydro-1,3-oxazine?
The IUPAC name of 4,4-dimethyl-2-naphthalen-1-yl-5,6-dihydro-1,3-oxazine (CID 100923139) is 4,4-dimethyl-2-naphthalen-1-yl-5,6-dihydro-1,3-oxazine.
What is the SMILES notation for 4,4-dimethyl-2-naphthalen-1-yl-5,6-dihydro-1,3-oxazine?
The canonical SMILES for 4,4-dimethyl-2-naphthalen-1-yl-5,6-dihydro-1,3-oxazine is CC1(C)CCOC(c2cccc3ccccc23)=N1.
What is the InChIKey of 4,4-dimethyl-2-naphthalen-1-yl-5,6-dihydro-1,3-oxazine?
The InChIKey is XCOUGIQDPSXNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-16(2)10-11-18-15(17-16)14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,10-11H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-naphthalen-1-yl-5,6-dihydro-1,3-oxazine?
4,4-dimethyl-2-naphthalen-1-yl-5,6-dihydro-1,3-oxazine has a molecular weight of 239.32 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-naphthalen-1-yl-5,6-dihydro-1,3-oxazine is sourced from PubChem (CID 100923139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).