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

C19H27NO — CID 86092685

IUPAC2-[1-(2-ethylphenyl)cyclohexyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCCc1ccccc1C1(C2=NC(C)(C)CO2)CCCCC1
InChIInChI=1S/C19H27NO/c1-4-15-10-6-7-11-16(15)19(12-8-5-9-13-19)17-20-18(2,3)14-21-17/h6-7,10-11H,4-5,8-9,12-14H2,1-3H3
InChIKeyAMXCOOFVPKFPMM-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.66
Rot. Bonds3

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

2-[1-(2-ethylphenyl)cyclohexyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 86092685) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-[1-(2-ethylphenyl)cyclohexyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(2-ethylphenyl)cyclohexyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID86092685
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name2-[1-(2-ethylphenyl)cyclohexyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCCc1ccccc1C1(C2=NC(C)(C)CO2)CCCCC1
InChIInChI=1S/C19H27NO/c1-4-15-10-6-7-11-16(15)19(12-8-5-9-13-19)17-20-18(2,3)14-21-17/h6-7,10-11H,4-5,8-9,12-14H2,1-3H3
InChIKeyAMXCOOFVPKFPMM-UHFFFAOYSA-N
XLogP4.66
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.66
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 2-[1-(2-ethylphenyl)cyclohexyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[1-(2-ethylphenyl)cyclohexyl]-4,4-dimethyl-5H-1,3-oxazole (CID 86092685) is 2-[1-(2-ethylphenyl)cyclohexyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[1-(2-ethylphenyl)cyclohexyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[1-(2-ethylphenyl)cyclohexyl]-4,4-dimethyl-5H-1,3-oxazole is CCc1ccccc1C1(C2=NC(C)(C)CO2)CCCCC1.
What is the InChIKey of 2-[1-(2-ethylphenyl)cyclohexyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is AMXCOOFVPKFPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-4-15-10-6-7-11-16(15)19(12-8-5-9-13-19)17-20-18(2,3)14-21-17/h6-7,10-11H,4-5,8-9,12-14H2,1-3H3.
What are the key properties of 2-[1-(2-ethylphenyl)cyclohexyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[1-(2-ethylphenyl)cyclohexyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 285.43 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylphenyl)cyclohexyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 86092685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).