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

C17H23NO — CID 86092666

IUPAC4,4-dimethyl-2-[1-(4-methylphenyl)cyclopentyl]-5H-1,3-oxazole
SMILESCc1ccc(C2(C3=NC(C)(C)CO3)CCCC2)cc1
InChIInChI=1S/C17H23NO/c1-13-6-8-14(9-7-13)17(10-4-5-11-17)15-18-16(2,3)12-19-15/h6-9H,4-5,10-12H2,1-3H3
InChIKeyOJDIAMGXIJIJRC-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.01
Rot. Bonds2

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

4,4-dimethyl-2-[1-(4-methylphenyl)cyclopentyl]-5H-1,3-oxazole (PubChem CID 86092666) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 4,4-dimethyl-2-[1-(4-methylphenyl)cyclopentyl]-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-[1-(4-methylphenyl)cyclopentyl]-5H-1,3-oxazole
PubChem CID86092666
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name4,4-dimethyl-2-[1-(4-methylphenyl)cyclopentyl]-5H-1,3-oxazole
SMILESCc1ccc(C2(C3=NC(C)(C)CO3)CCCC2)cc1
InChIInChI=1S/C17H23NO/c1-13-6-8-14(9-7-13)17(10-4-5-11-17)15-18-16(2,3)12-19-15/h6-9H,4-5,10-12H2,1-3H3
InChIKeyOJDIAMGXIJIJRC-UHFFFAOYSA-N
XLogP4.01
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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
2-(4-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole chloride
CID 45108880
(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
4-Methyl-2-(4-phenylbenzyl)-2-oxazoline-4-methanol
CID 193256
4-(4-Tert-butylphenyl)-2-(1,3-difluoro-2-methylpropan-2-yl)-4,5-dihydro-1,3-oxazole
CID 15334503
2-[2-fluoro-6-(1-methylcyclopentyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 18630289
2-[1-(3-fluoro-4-phenylphenyl)ethyl]-4,4-dimethyl-5H-1,3-oxazole
CID 20154043
2-[1-(2,2',4'-Trifluoro-4-biphenylyl)ethyl]-4,4-dimethyl-2-oxazoline
CID 21406752

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[1-(4-methylphenyl)cyclopentyl]-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-[1-(4-methylphenyl)cyclopentyl]-5H-1,3-oxazole (CID 86092666) is 4,4-dimethyl-2-[1-(4-methylphenyl)cyclopentyl]-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-[1-(4-methylphenyl)cyclopentyl]-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-[1-(4-methylphenyl)cyclopentyl]-5H-1,3-oxazole is Cc1ccc(C2(C3=NC(C)(C)CO3)CCCC2)cc1.
What is the InChIKey of 4,4-dimethyl-2-[1-(4-methylphenyl)cyclopentyl]-5H-1,3-oxazole?
The InChIKey is OJDIAMGXIJIJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-13-6-8-14(9-7-13)17(10-4-5-11-17)15-18-16(2,3)12-19-15/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-[1-(4-methylphenyl)cyclopentyl]-5H-1,3-oxazole?
4,4-dimethyl-2-[1-(4-methylphenyl)cyclopentyl]-5H-1,3-oxazole has a molecular weight of 257.38 g/mol, XLogP of 4.01, 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-(4-methylphenyl)cyclopentyl]-5H-1,3-oxazole is sourced from PubChem (CID 86092666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).