2-(3,4-dihydronaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole

C15H17NO — CID 15853168

IUPAC2-(3,4-dihydronaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(C2=CCCc3ccccc32)=N1
InChIInChI=1S/C15H17NO/c1-15(2)10-17-14(16-15)13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8-9H,5,7,10H2,1-2H3
InChIKeyBZBJPSQYMNFXAU-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.22
Rot. Bonds1

About 2-(3,4-dihydronaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole

2-(3,4-dihydronaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 15853168) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(3,4-dihydronaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(3,4-dihydronaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID15853168
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-(3,4-dihydronaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(C2=CCCc3ccccc32)=N1
InChIInChI=1S/C15H17NO/c1-15(2)10-17-14(16-15)13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8-9H,5,7,10H2,1-2H3
InChIKeyBZBJPSQYMNFXAU-UHFFFAOYSA-N
XLogP3.22
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline
CID 10583839
4-(3,4-dihydronaphthalen-1-yl)-3,5-dimethyl-1,2-oxazole
CID 135045577
4,4-dimethyl-2-(2-methylsulfanylphenyl)-5H-1,3-oxazole
CID 13047584
4,4-dimethyl-2-[2-(4-methylphenyl)phenyl]-5H-1,3-oxazole
CID 688301
4,4-dimethyl-2-naphthalen-1-yl-5H-1,3-oxazole
CID 4299365
carbon monoxide;chromium;4,4-dimethyl-2-(2-methylphenyl)-5H-1,3-oxazole
CID 11823541
2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 4296341
4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)naphthalene-1,2-diol
CID 135501614
N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2,4,6-trimethylaniline
CID 101437695
2-(2-cyclohexylphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 15880000
dichloro-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-bis(4-methylphenyl)bismuth
CID 135046126
ethane;4-methyl-1,2-dihydronaphthalene
CID 91604572

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydronaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(3,4-dihydronaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole (CID 15853168) is 2-(3,4-dihydronaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(3,4-dihydronaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(3,4-dihydronaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(C2=CCCc3ccccc32)=N1.
What is the InChIKey of 2-(3,4-dihydronaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is BZBJPSQYMNFXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-15(2)10-17-14(16-15)13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8-9H,5,7,10H2,1-2H3.
What are the key properties of 2-(3,4-dihydronaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole?
2-(3,4-dihydronaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 227.31 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydronaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 15853168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).