4,4-dimethyl-2-[1-(2-phenylpropan-2-yloxymethyl)cyclohexyl]-5H-1,3-oxazole

C21H31NO2 — CID 163919521

IUPAC4,4-dimethyl-2-[1-(2-phenylpropan-2-yloxymethyl)cyclohexyl]-5H-1,3-oxazole
SMILESCC1(C)COC(C2(COC(C)(C)c3ccccc3)CCCCC2)=N1
InChIInChI=1S/C21H31NO2/c1-19(2)15-23-18(22-19)21(13-9-6-10-14-21)16-24-20(3,4)17-11-7-5-8-12-17/h5,7-8,11-12H,6,9-10,13-16H2,1-4H3
InChIKeyQZEZSDUXLCNGKC-UHFFFAOYSA-N
MW329.48 g/mol
LogP5.10
Rot. Bonds5

About 4,4-dimethyl-2-[1-(2-phenylpropan-2-yloxymethyl)cyclohexyl]-5H-1,3-oxazole

4,4-dimethyl-2-[1-(2-phenylpropan-2-yloxymethyl)cyclohexyl]-5H-1,3-oxazole (PubChem CID 163919521) has the molecular formula C21H31NO2 and a molecular weight of 329.48 g/mol. Its IUPAC name is 4,4-dimethyl-2-[1-(2-phenylpropan-2-yloxymethyl)cyclohexyl]-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-[1-(2-phenylpropan-2-yloxymethyl)cyclohexyl]-5H-1,3-oxazole
PubChem CID163919521
Molecular FormulaC21H31NO2
Molecular Weight329.48 g/mol
Exact Mass329.24
IUPAC Name4,4-dimethyl-2-[1-(2-phenylpropan-2-yloxymethyl)cyclohexyl]-5H-1,3-oxazole
SMILESCC1(C)COC(C2(COC(C)(C)c3ccccc3)CCCCC2)=N1
InChIInChI=1S/C21H31NO2/c1-19(2)15-23-18(22-19)21(13-9-6-10-14-21)16-24-20(3,4)17-11-7-5-8-12-17/h5,7-8,11-12H,6,9-10,13-16H2,1-4H3
InChIKeyQZEZSDUXLCNGKC-UHFFFAOYSA-N
XLogP5.10
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.48
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-2-(1-phenylcyclopropyl)-5H-1,3-oxazole
CID 86092664
2-(1-ethylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole
CID 71426920
cyclohexane;ethene;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174748033
4,4-dimethyl-2-[(1R)-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]-5H-1,3-oxazole
CID 139090329
4,4-dimethyl-2-[1-(2-octylphenyl)cyclopentyl]-5H-1,3-oxazole
CID 86092698
(2R)-2-methyl-2-(trityloxymethyl)oxirane
CID 167477825
trimethyl-[3-(2-phenylpropan-2-yloxy)prop-1-ynyl]silane
CID 134889522
2-[1-(2-phenylpropan-2-yl)cyclohexyl]propan-2-ylbenzene
CID 175137284
1-[(1-methylcyclopentyl)methylamino]-2-phenylpropan-2-ol
CID 63830115
4-(2-phenylpropan-2-yloxy)butanenitrile
CID 174653119
(E)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-diphenylbut-3-en-2-ol
CID 102156142
4,4-dimethyl-2-(3-phenylpropyl)-5H-1,3-oxazole
CID 10727505

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[1-(2-phenylpropan-2-yloxymethyl)cyclohexyl]-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-[1-(2-phenylpropan-2-yloxymethyl)cyclohexyl]-5H-1,3-oxazole (CID 163919521) is 4,4-dimethyl-2-[1-(2-phenylpropan-2-yloxymethyl)cyclohexyl]-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-[1-(2-phenylpropan-2-yloxymethyl)cyclohexyl]-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-[1-(2-phenylpropan-2-yloxymethyl)cyclohexyl]-5H-1,3-oxazole is CC1(C)COC(C2(COC(C)(C)c3ccccc3)CCCCC2)=N1.
What is the InChIKey of 4,4-dimethyl-2-[1-(2-phenylpropan-2-yloxymethyl)cyclohexyl]-5H-1,3-oxazole?
The InChIKey is QZEZSDUXLCNGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2/c1-19(2)15-23-18(22-19)21(13-9-6-10-14-21)16-24-20(3,4)17-11-7-5-8-12-17/h5,7-8,11-12H,6,9-10,13-16H2,1-4H3.
What are the key properties of 4,4-dimethyl-2-[1-(2-phenylpropan-2-yloxymethyl)cyclohexyl]-5H-1,3-oxazole?
4,4-dimethyl-2-[1-(2-phenylpropan-2-yloxymethyl)cyclohexyl]-5H-1,3-oxazole has a molecular weight of 329.48 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[1-(2-phenylpropan-2-yloxymethyl)cyclohexyl]-5H-1,3-oxazole is sourced from PubChem (CID 163919521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).