2-(8-ethylnaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole

C17H19NO — CID 11673275

IUPAC2-(8-ethylnaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCCc1cccc2cccc(C3=NC(C)(C)CO3)c12
InChIInChI=1S/C17H19NO/c1-4-12-7-5-8-13-9-6-10-14(15(12)13)16-18-17(2,3)11-19-16/h5-10H,4,11H2,1-3H3
InChIKeyHPLYTCYKQYWVEG-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.96
Rot. Bonds2

About 2-(8-ethylnaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole

2-(8-ethylnaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 11673275) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(8-ethylnaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(8-ethylnaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID11673275
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name2-(8-ethylnaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCCc1cccc2cccc(C3=NC(C)(C)CO3)c12
InChIInChI=1S/C17H19NO/c1-4-12-7-5-8-13-9-6-10-14(15(12)13)16-18-17(2,3)11-19-16/h5-10H,4,11H2,1-3H3
InChIKeyHPLYTCYKQYWVEG-UHFFFAOYSA-N
XLogP3.96
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Isopropyl-2-(1-naphthyl)-2-oxazoline
CID 9547837
1,3-Bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzene
CID 395337
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
(4S)-4-benzyl-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 17756895
2-([1,1'-Biphenyl]-2-yl)-4,4-dimethyl-4,5-dihydrooxazole
CID 395641
Ethyl naphthalene-2-carboximidate hydrochloride
CID 86674302
4-ethoxymethylene-2-(1)-naphthyl-5(4H)-oxazolone
CID 356930
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

Frequently Asked Questions

What is the IUPAC name of 2-(8-ethylnaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(8-ethylnaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole (CID 11673275) is 2-(8-ethylnaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(8-ethylnaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(8-ethylnaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole is CCc1cccc2cccc(C3=NC(C)(C)CO3)c12.
What is the InChIKey of 2-(8-ethylnaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is HPLYTCYKQYWVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-4-12-7-5-8-13-9-6-10-14(15(12)13)16-18-17(2,3)11-19-16/h5-10H,4,11H2,1-3H3.
What are the key properties of 2-(8-ethylnaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole?
2-(8-ethylnaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 253.34 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-ethylnaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 11673275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).