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

C17H23NO — CID 11586942

IUPAC4,4-dimethyl-2-[1-(2-methylphenyl)cyclopentyl]-5H-1,3-oxazole
SMILESCc1ccccc1C1(C2=NC(C)(C)CO2)CCCC1
InChIInChI=1S/C17H23NO/c1-13-8-4-5-9-14(13)17(10-6-7-11-17)15-18-16(2,3)12-19-15/h4-5,8-9H,6-7,10-12H2,1-3H3
InChIKeyABEVERKPAPBPIW-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.01
Rot. Bonds2

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

4,4-dimethyl-2-[1-(2-methylphenyl)cyclopentyl]-5H-1,3-oxazole (PubChem CID 11586942) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 4,4-dimethyl-2-[1-(2-methylphenyl)cyclopentyl]-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-[1-(2-methylphenyl)cyclopentyl]-5H-1,3-oxazole
PubChem CID11586942
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name4,4-dimethyl-2-[1-(2-methylphenyl)cyclopentyl]-5H-1,3-oxazole
SMILESCc1ccccc1C1(C2=NC(C)(C)CO2)CCCC1
InChIInChI=1S/C17H23NO/c1-13-8-4-5-9-14(13)17(10-6-7-11-17)15-18-16(2,3)12-19-15/h4-5,8-9H,6-7,10-12H2,1-3H3
InChIKeyABEVERKPAPBPIW-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
(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 4,4-dimethyl-2-[1-(2-methylphenyl)cyclopentyl]-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-[1-(2-methylphenyl)cyclopentyl]-5H-1,3-oxazole (CID 11586942) is 4,4-dimethyl-2-[1-(2-methylphenyl)cyclopentyl]-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-[1-(2-methylphenyl)cyclopentyl]-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-[1-(2-methylphenyl)cyclopentyl]-5H-1,3-oxazole is Cc1ccccc1C1(C2=NC(C)(C)CO2)CCCC1.
What is the InChIKey of 4,4-dimethyl-2-[1-(2-methylphenyl)cyclopentyl]-5H-1,3-oxazole?
The InChIKey is ABEVERKPAPBPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-13-8-4-5-9-14(13)17(10-6-7-11-17)15-18-16(2,3)12-19-15/h4-5,8-9H,6-7,10-12H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-[1-(2-methylphenyl)cyclopentyl]-5H-1,3-oxazole?
4,4-dimethyl-2-[1-(2-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-(2-methylphenyl)cyclopentyl]-5H-1,3-oxazole is sourced from PubChem (CID 11586942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).