4-[2,2-dimethyl-3-(1-methylpiperidin-4-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-oxazole

C19H34N2O — CID 146254888

IUPAC4-[2,2-dimethyl-3-(1-methylpiperidin-4-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-oxazole
SMILESCN1CCC(CC(C)(C)Cc2coc(CC(C)(C)C)n2)CC1
InChIInChI=1S/C19H34N2O/c1-18(2,3)13-17-20-16(14-22-17)12-19(4,5)11-15-7-9-21(6)10-8-15/h14-15H,7-13H2,1-6H3
InChIKeyWYMJVBYBPHQERB-UHFFFAOYSA-N
MW306.49 g/mol
LogP4.56
Rot. Bonds5

About 4-[2,2-dimethyl-3-(1-methylpiperidin-4-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-oxazole

4-[2,2-dimethyl-3-(1-methylpiperidin-4-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-oxazole (PubChem CID 146254888) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 4-[2,2-dimethyl-3-(1-methylpiperidin-4-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[2,2-dimethyl-3-(1-methylpiperidin-4-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-oxazole
PubChem CID146254888
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name4-[2,2-dimethyl-3-(1-methylpiperidin-4-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-oxazole
SMILESCN1CCC(CC(C)(C)Cc2coc(CC(C)(C)C)n2)CC1
InChIInChI=1S/C19H34N2O/c1-18(2,3)13-17-20-16(14-22-17)12-19(4,5)11-15-7-9-21(6)10-8-15/h14-15H,7-13H2,1-6H3
InChIKeyWYMJVBYBPHQERB-UHFFFAOYSA-N
XLogP4.56
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hexyl-2-methyl-1,3-oxazole
CID 69482177
4-(1-Adamantyl)-2-methyl-1,3-oxazole;hydrochloride
CID 2836020
4-(1-Adamantyl)-2-methyl-1,3-oxazole
CID 2836021
4-(1-Adamantyl)-2-methyl-1,3-oxazole chloride
CID 46863752
4-(1-Azabicyclo[2.2.2]octan-3-yl)-2-methyl-1,3-oxazole
CID 19018578
2-[Carboxy-[2-[4-(2-cyclohexylethyl)-1,3-oxazol-2-yl]ethyl]amino]-4-methylpentanoic acid
CID 22144247
4-Cyclohexyl-2-methyl-1,3-oxazole
CID 54500679
2-Tert-butyl-4-cyclopentyl-1,3-oxazole
CID 56980996
2-Tert-butyl-4-cyclohexyl-1,3-oxazole
CID 57044775
2-Tert-butyl-4-decyl-1,3-oxazole
CID 57051564
2-Tert-butyl-4-hexyl-1,3-oxazole
CID 57106585
2-(4-Methylcyclohexyl)-4-propan-2-yl-1,3-oxazole
CID 59476459

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-dimethyl-3-(1-methylpiperidin-4-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-oxazole?
The IUPAC name of 4-[2,2-dimethyl-3-(1-methylpiperidin-4-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-oxazole (CID 146254888) is 4-[2,2-dimethyl-3-(1-methylpiperidin-4-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-oxazole.
What is the SMILES notation for 4-[2,2-dimethyl-3-(1-methylpiperidin-4-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-oxazole?
The canonical SMILES for 4-[2,2-dimethyl-3-(1-methylpiperidin-4-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-oxazole is CN1CCC(CC(C)(C)Cc2coc(CC(C)(C)C)n2)CC1.
What is the InChIKey of 4-[2,2-dimethyl-3-(1-methylpiperidin-4-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-oxazole?
The InChIKey is WYMJVBYBPHQERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c1-18(2,3)13-17-20-16(14-22-17)12-19(4,5)11-15-7-9-21(6)10-8-15/h14-15H,7-13H2,1-6H3.
What are the key properties of 4-[2,2-dimethyl-3-(1-methylpiperidin-4-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-oxazole?
4-[2,2-dimethyl-3-(1-methylpiperidin-4-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-oxazole has a molecular weight of 306.49 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-dimethyl-3-(1-methylpiperidin-4-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-oxazole is sourced from PubChem (CID 146254888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).