4,4-dimethyl-2-[(1R)-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]-5H-1,3-oxazole

C21H23NO — CID 139090329

IUPAC4,4-dimethyl-2-[(1R)-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]-5H-1,3-oxazole
SMILESCC1(C)COC([C@@]2(c3ccccc3)CCCc3ccccc32)=N1
InChIInChI=1S/C21H23NO/c1-20(2)15-23-19(22-20)21(17-11-4-3-5-12-17)14-8-10-16-9-6-7-13-18(16)21/h3-7,9,11-13H,8,10,14-15H2,1-2H3/t21-/m1/s1
InChIKeyXCOWXWUWQCMCMK-OAQYLSRUSA-N
MW305.42 g/mol
LogP4.52
Rot. Bonds2

About 4,4-dimethyl-2-[(1R)-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]-5H-1,3-oxazole

4,4-dimethyl-2-[(1R)-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]-5H-1,3-oxazole (PubChem CID 139090329) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 4,4-dimethyl-2-[(1R)-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-[(1R)-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]-5H-1,3-oxazole
PubChem CID139090329
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name4,4-dimethyl-2-[(1R)-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]-5H-1,3-oxazole
SMILESCC1(C)COC([C@@]2(c3ccccc3)CCCc3ccccc32)=N1
InChIInChI=1S/C21H23NO/c1-20(2)15-23-19(22-20)21(17-11-4-3-5-12-17)14-8-10-16-9-6-7-13-18(16)21/h3-7,9,11-13H,8,10,14-15H2,1-2H3/t21-/m1/s1
InChIKeyXCOWXWUWQCMCMK-OAQYLSRUSA-N
XLogP4.52
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-2-(1-phenylcyclopropyl)-5H-1,3-oxazole
CID 86092664
4,4-dimethyl-2-[1-(2-octylphenyl)cyclopentyl]-5H-1,3-oxazole
CID 86092698
[1-(methylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 61054317
[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 94565802
4,4,5,5-tetramethyl-2-[(1'S,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]-1,3,2-dioxaborolane
CID 166442850
4,4-dimethyl-2-[1-(2-phenylpropan-2-yloxymethyl)cyclohexyl]-5H-1,3-oxazole
CID 163919521
(1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol
CID 10957368
2-(3,3-diphenyloxiran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
CID 11033697
[1-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl-trimethylsilane
CID 106324106
2-[(2S)-3,3-diphenyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 102371178
4,4-diethyl-2,3-dihydro-1H-naphthalene
CID 520431
(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[(1R)-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-[(1R)-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]-5H-1,3-oxazole (CID 139090329) is 4,4-dimethyl-2-[(1R)-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-[(1R)-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-[(1R)-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]-5H-1,3-oxazole is CC1(C)COC([C@@]2(c3ccccc3)CCCc3ccccc32)=N1.
What is the InChIKey of 4,4-dimethyl-2-[(1R)-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]-5H-1,3-oxazole?
The InChIKey is XCOWXWUWQCMCMK-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H23NO/c1-20(2)15-23-19(22-20)21(17-11-4-3-5-12-17)14-8-10-16-9-6-7-13-18(16)21/h3-7,9,11-13H,8,10,14-15H2,1-2H3/t21-/m1/s1.
What are the key properties of 4,4-dimethyl-2-[(1R)-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]-5H-1,3-oxazole?
4,4-dimethyl-2-[(1R)-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]-5H-1,3-oxazole has a molecular weight of 305.42 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[(1R)-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]-5H-1,3-oxazole is sourced from PubChem (CID 139090329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).