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

C16H17NO — CID 86092672

IUPAC4,4-dimethyl-2-(8-methylnaphthalen-1-yl)-5H-1,3-oxazole
SMILESCc1cccc2cccc(C3=NC(C)(C)CO3)c12
InChIInChI=1S/C16H17NO/c1-11-6-4-7-12-8-5-9-13(14(11)12)15-17-16(2,3)10-18-15/h4-9H,10H2,1-3H3
InChIKeyCIXAIQUABZLQBN-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.70
Rot. Bonds1

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

4,4-dimethyl-2-(8-methylnaphthalen-1-yl)-5H-1,3-oxazole (PubChem CID 86092672) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 4,4-dimethyl-2-(8-methylnaphthalen-1-yl)-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-(8-methylnaphthalen-1-yl)-5H-1,3-oxazole
PubChem CID86092672
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name4,4-dimethyl-2-(8-methylnaphthalen-1-yl)-5H-1,3-oxazole
SMILESCc1cccc2cccc(C3=NC(C)(C)CO3)c12
InChIInChI=1S/C16H17NO/c1-11-6-4-7-12-8-5-9-13(14(11)12)15-17-16(2,3)10-18-15/h4-9H,10H2,1-3H3
InChIKeyCIXAIQUABZLQBN-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
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 4,4-dimethyl-2-(8-methylnaphthalen-1-yl)-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-(8-methylnaphthalen-1-yl)-5H-1,3-oxazole (CID 86092672) is 4,4-dimethyl-2-(8-methylnaphthalen-1-yl)-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-(8-methylnaphthalen-1-yl)-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-(8-methylnaphthalen-1-yl)-5H-1,3-oxazole is Cc1cccc2cccc(C3=NC(C)(C)CO3)c12.
What is the InChIKey of 4,4-dimethyl-2-(8-methylnaphthalen-1-yl)-5H-1,3-oxazole?
The InChIKey is CIXAIQUABZLQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11-6-4-7-12-8-5-9-13(14(11)12)15-17-16(2,3)10-18-15/h4-9H,10H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-(8-methylnaphthalen-1-yl)-5H-1,3-oxazole?
4,4-dimethyl-2-(8-methylnaphthalen-1-yl)-5H-1,3-oxazole has a molecular weight of 239.32 g/mol, XLogP of 3.70, 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-(8-methylnaphthalen-1-yl)-5H-1,3-oxazole is sourced from PubChem (CID 86092672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).