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

C19H27NO — CID 101388862

IUPAC2-[1-(2-ethyl-4-methylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCCc1cc(C)ccc1C1(C2=NC(C)(C)CO2)CCCC1
InChIInChI=1S/C19H27NO/c1-5-15-12-14(2)8-9-16(15)19(10-6-7-11-19)17-20-18(3,4)13-21-17/h8-9,12H,5-7,10-11,13H2,1-4H3
InChIKeyQABIRWBUMDFDJU-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.58
Rot. Bonds3

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

2-[1-(2-ethyl-4-methylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 101388862) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-[1-(2-ethyl-4-methylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(2-ethyl-4-methylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID101388862
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name2-[1-(2-ethyl-4-methylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCCc1cc(C)ccc1C1(C2=NC(C)(C)CO2)CCCC1
InChIInChI=1S/C19H27NO/c1-5-15-12-14(2)8-9-16(15)19(10-6-7-11-19)17-20-18(3,4)13-21-17/h8-9,12H,5-7,10-11,13H2,1-4H3
InChIKeyQABIRWBUMDFDJU-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-phenylpropan-2-yl)-5H-1,3-oxazole
CID 86092669
2-[2-fluoro-6-(1-methylcyclopentyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 18630289
2-[(4,5-ditert-butyl-2-fluorophenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole
CID 160292016
Ethyl 2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate
CID 10586589
(4S)-4-tert-butyl-2-(1,1-diphenylethyl)-4,5-dihydro-1,3-oxazole
CID 11426795
4,4-dimethyl-2-(1-phenylcyclopentyl)-5H-1,3-oxazole
CID 11543264
4,4-dimethyl-2-[1-(2-methylphenyl)cyclopentyl]-5H-1,3-oxazole
CID 11586942
2-(2,6-Diethylphenyl)-4,5-dihydro-4,4-dimethyloxazole
CID 13184752
2-(3-butyl-2-prop-2-enylphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 13433192
4,4-Dimethyl-2-(1-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 71405550

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethyl-4-methylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[1-(2-ethyl-4-methylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole (CID 101388862) is 2-[1-(2-ethyl-4-methylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[1-(2-ethyl-4-methylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[1-(2-ethyl-4-methylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole is CCc1cc(C)ccc1C1(C2=NC(C)(C)CO2)CCCC1.
What is the InChIKey of 2-[1-(2-ethyl-4-methylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is QABIRWBUMDFDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-5-15-12-14(2)8-9-16(15)19(10-6-7-11-19)17-20-18(3,4)13-21-17/h8-9,12H,5-7,10-11,13H2,1-4H3.
What are the key properties of 2-[1-(2-ethyl-4-methylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[1-(2-ethyl-4-methylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 285.43 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethyl-4-methylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 101388862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).