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

C18H25NO — CID 86092680

IUPAC2-[1-(2-ethylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCCc1ccccc1C1(C2=NC(C)(C)CO2)CCCC1
InChIInChI=1S/C18H25NO/c1-4-14-9-5-6-10-15(14)18(11-7-8-12-18)16-19-17(2,3)13-20-16/h5-6,9-10H,4,7-8,11-13H2,1-3H3
InChIKeyNOALNAZOHHYEMC-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.27
Rot. Bonds3

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

2-[1-(2-ethylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 86092680) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-[1-(2-ethylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(2-ethylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID86092680
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-[1-(2-ethylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCCc1ccccc1C1(C2=NC(C)(C)CO2)CCCC1
InChIInChI=1S/C18H25NO/c1-4-14-9-5-6-10-15(14)18(11-7-8-12-18)16-19-17(2,3)13-20-16/h5-6,9-10H,4,7-8,11-13H2,1-3H3
InChIKeyNOALNAZOHHYEMC-UHFFFAOYSA-N
XLogP4.27
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2-ethylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-Dimethyl-2-phenylmethyl-2-oxazoline
CID 98710
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
(4S)-4-tert-butyl-2-[1-(2-iodophenyl)-1-phenylethyl]-4,5-dihydro-1,3-oxazole
CID 11750846
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
(4S)-4-tert-butyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 12025113
2-(2-tert-Butylphenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CID 13184751
(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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[1-(2-ethylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole (CID 86092680) is 2-[1-(2-ethylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[1-(2-ethylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[1-(2-ethylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole is CCc1ccccc1C1(C2=NC(C)(C)CO2)CCCC1.
What is the InChIKey of 2-[1-(2-ethylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is NOALNAZOHHYEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-4-14-9-5-6-10-15(14)18(11-7-8-12-18)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 2-[1-(2-ethylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[1-(2-ethylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 271.40 g/mol, XLogP of 4.27, 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)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 86092680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).