4,4-dimethyl-2-[1-(2-methylphenyl)cyclohexyl]-5H-1,3-oxazole

C18H25NO — CID 86092683

IUPAC4,4-dimethyl-2-[1-(2-methylphenyl)cyclohexyl]-5H-1,3-oxazole
SMILESCc1ccccc1C1(C2=NC(C)(C)CO2)CCCCC1
InChIInChI=1S/C18H25NO/c1-14-9-5-6-10-15(14)18(11-7-4-8-12-18)16-19-17(2,3)13-20-16/h5-6,9-10H,4,7-8,11-13H2,1-3H3
InChIKeyBNNLCXYENQNEJE-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.40
Rot. Bonds2

About 4,4-dimethyl-2-[1-(2-methylphenyl)cyclohexyl]-5H-1,3-oxazole

4,4-dimethyl-2-[1-(2-methylphenyl)cyclohexyl]-5H-1,3-oxazole (PubChem CID 86092683) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 4,4-dimethyl-2-[1-(2-methylphenyl)cyclohexyl]-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-[1-(2-methylphenyl)cyclohexyl]-5H-1,3-oxazole
PubChem CID86092683
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name4,4-dimethyl-2-[1-(2-methylphenyl)cyclohexyl]-5H-1,3-oxazole
SMILESCc1ccccc1C1(C2=NC(C)(C)CO2)CCCCC1
InChIInChI=1S/C18H25NO/c1-14-9-5-6-10-15(14)18(11-7-4-8-12-18)16-19-17(2,3)13-20-16/h5-6,9-10H,4,7-8,11-13H2,1-3H3
InChIKeyBNNLCXYENQNEJE-UHFFFAOYSA-N
XLogP4.40
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-2-phenylmethyl-2-oxazoline
CID 98710
2-Trityl-4,5-dihydrooxazole
CID 24799664
4,4-Dimethyl-2-(4'-methyl-2-biphenylyl)-2-oxazoline
CID 688301
(Dihydro-3,3-diphenyl-3H-furan-2-ylidene)dimethylammonium bromide
CID 2723589
2-([1,1'-Biphenyl]-2-yl)-4,4-dimethyl-4,5-dihydrooxazole
CID 395641
Dimethyl (tetrahydro-3,3-diphenyl-2-furylidene) ammonium
CID 2723590
2-(2-methoxy-1-methyl-4-methylene-1-naphthyl)-4,4-dimethyl-5H-oxazole
CID 455266
4,4-dimethyl-2-(1-methyl-4H-naphthalen-1-yl)-5H-oxazole
CID 455267
4,4-Dimethyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 293675
4,4-dimethyl-2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-5H-1,3-oxazole
CID 23584346
carbon monoxide;chromium;4,4-dimethyl-2-(2-phenylphenyl)-5H-1,3-oxazole
CID 134898910
(4S)-4-tert-butyl-2-[1-(2-iodophenyl)-1-phenylethyl]-4,5-dihydro-1,3-oxazole
CID 11750846

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[1-(2-methylphenyl)cyclohexyl]-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-[1-(2-methylphenyl)cyclohexyl]-5H-1,3-oxazole (CID 86092683) is 4,4-dimethyl-2-[1-(2-methylphenyl)cyclohexyl]-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-[1-(2-methylphenyl)cyclohexyl]-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-[1-(2-methylphenyl)cyclohexyl]-5H-1,3-oxazole is Cc1ccccc1C1(C2=NC(C)(C)CO2)CCCCC1.
What is the InChIKey of 4,4-dimethyl-2-[1-(2-methylphenyl)cyclohexyl]-5H-1,3-oxazole?
The InChIKey is BNNLCXYENQNEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-14-9-5-6-10-15(14)18(11-7-4-8-12-18)16-19-17(2,3)13-20-16/h5-6,9-10H,4,7-8,11-13H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-[1-(2-methylphenyl)cyclohexyl]-5H-1,3-oxazole?
4,4-dimethyl-2-[1-(2-methylphenyl)cyclohexyl]-5H-1,3-oxazole has a molecular weight of 271.40 g/mol, XLogP of 4.40, 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-[1-(2-methylphenyl)cyclohexyl]-5H-1,3-oxazole is sourced from PubChem (CID 86092683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).