5-[5,5-dimethyl-2-(piperazin-1-ylmethyl)cyclohexen-1-yl]-1,3-oxazole

C16H25N3O — CID 176882079

IUPAC5-[5,5-dimethyl-2-(piperazin-1-ylmethyl)cyclohexen-1-yl]-1,3-oxazole
SMILESCC1(C)CCC(CN2CCNCC2)=C(c2cnco2)C1
InChIInChI=1S/C16H25N3O/c1-16(2)4-3-13(11-19-7-5-17-6-8-19)14(9-16)15-10-18-12-20-15/h10,12,17H,3-9,11H2,1-2H3
InChIKeyALTRMOQVCJJUSS-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.54
Rot. Bonds3

About 5-[5,5-dimethyl-2-(piperazin-1-ylmethyl)cyclohexen-1-yl]-1,3-oxazole

5-[5,5-dimethyl-2-(piperazin-1-ylmethyl)cyclohexen-1-yl]-1,3-oxazole (PubChem CID 176882079) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-[5,5-dimethyl-2-(piperazin-1-ylmethyl)cyclohexen-1-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-[5,5-dimethyl-2-(piperazin-1-ylmethyl)cyclohexen-1-yl]-1,3-oxazole
PubChem CID176882079
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name5-[5,5-dimethyl-2-(piperazin-1-ylmethyl)cyclohexen-1-yl]-1,3-oxazole
SMILESCC1(C)CCC(CN2CCNCC2)=C(c2cnco2)C1
InChIInChI=1S/C16H25N3O/c1-16(2)4-3-13(11-19-7-5-17-6-8-19)14(9-16)15-10-18-12-20-15/h10,12,17H,3-9,11H2,1-2H3
InChIKeyALTRMOQVCJJUSS-UHFFFAOYSA-N
XLogP2.54
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine;hydron;chloride
CID 130277568
1-[[4,4-dimethyl-2-[4-(trifluoromethoxy)phenyl]cyclohexen-1-yl]methyl]piperazine
CID 141314202
1-[[2-(4-fluorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-3-(trifluoromethyl)piperazine
CID 176882078
(2S)-1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-2-methylpiperazine
CID 124565284
5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 167823125
1-[(4-methyl-3-pyridinyl)methyl]piperazine
CID 79002283
1-[(5-bromo-1-methylimidazol-2-yl)methyl]piperazine
CID 117188331
3-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 170784611
1-[(2,6-dimethoxy-4-pyridinyl)methyl]piperazine
CID 84700154
4-methyl-2-(piperazin-1-ylmethyl)-1,3-oxazole
CID 82468370
5-methoxy-2-(piperazin-1-ylmethyl)pyrimidine
CID 84780252
1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
CID 82622598

Frequently Asked Questions

What is the IUPAC name of 5-[5,5-dimethyl-2-(piperazin-1-ylmethyl)cyclohexen-1-yl]-1,3-oxazole?
The IUPAC name of 5-[5,5-dimethyl-2-(piperazin-1-ylmethyl)cyclohexen-1-yl]-1,3-oxazole (CID 176882079) is 5-[5,5-dimethyl-2-(piperazin-1-ylmethyl)cyclohexen-1-yl]-1,3-oxazole.
What is the SMILES notation for 5-[5,5-dimethyl-2-(piperazin-1-ylmethyl)cyclohexen-1-yl]-1,3-oxazole?
The canonical SMILES for 5-[5,5-dimethyl-2-(piperazin-1-ylmethyl)cyclohexen-1-yl]-1,3-oxazole is CC1(C)CCC(CN2CCNCC2)=C(c2cnco2)C1.
What is the InChIKey of 5-[5,5-dimethyl-2-(piperazin-1-ylmethyl)cyclohexen-1-yl]-1,3-oxazole?
The InChIKey is ALTRMOQVCJJUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(2)4-3-13(11-19-7-5-17-6-8-19)14(9-16)15-10-18-12-20-15/h10,12,17H,3-9,11H2,1-2H3.
What are the key properties of 5-[5,5-dimethyl-2-(piperazin-1-ylmethyl)cyclohexen-1-yl]-1,3-oxazole?
5-[5,5-dimethyl-2-(piperazin-1-ylmethyl)cyclohexen-1-yl]-1,3-oxazole has a molecular weight of 275.40 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5,5-dimethyl-2-(piperazin-1-ylmethyl)cyclohexen-1-yl]-1,3-oxazole is sourced from PubChem (CID 176882079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).