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

C18H25NO — CID 86092682

IUPAC2-[1-(2,4-dimethylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1ccc(C2(C3=NC(C)(C)CO3)CCCC2)c(C)c1
InChIInChI=1S/C18H25NO/c1-13-7-8-15(14(2)11-13)18(9-5-6-10-18)16-19-17(3,4)12-20-16/h7-8,11H,5-6,9-10,12H2,1-4H3
InChIKeyBDNSGSVGGCCJKS-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.32
Rot. Bonds2

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

2-[1-(2,4-dimethylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 86092682) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-[1-(2,4-dimethylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(2,4-dimethylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID86092682
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-[1-(2,4-dimethylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1ccc(C2(C3=NC(C)(C)CO3)CCCC2)c(C)c1
InChIInChI=1S/C18H25NO/c1-13-7-8-15(14(2)11-13)18(9-5-6-10-18)16-19-17(3,4)12-20-16/h7-8,11H,5-6,9-10,12H2,1-4H3
InChIKeyBDNSGSVGGCCJKS-UHFFFAOYSA-N
XLogP4.32
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.32
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-(2,4-dimethylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[1-(2,4-dimethylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole (CID 86092682) is 2-[1-(2,4-dimethylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[1-(2,4-dimethylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[1-(2,4-dimethylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole is Cc1ccc(C2(C3=NC(C)(C)CO3)CCCC2)c(C)c1.
What is the InChIKey of 2-[1-(2,4-dimethylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is BDNSGSVGGCCJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-13-7-8-15(14(2)11-13)18(9-5-6-10-18)16-19-17(3,4)12-20-16/h7-8,11H,5-6,9-10,12H2,1-4H3.
What are the key properties of 2-[1-(2,4-dimethylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[1-(2,4-dimethylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 271.40 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 86092682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).