2-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole

C16H27N3O — CID 106376686

IUPAC2-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(CN2CC(C3CCCCC3)NCC2C)o1
InChIInChI=1S/C16H27N3O/c1-12-8-17-15(14-6-4-3-5-7-14)10-19(12)11-16-18-9-13(2)20-16/h9,12,14-15,17H,3-8,10-11H2,1-2H3
InChIKeyOXMYCTDUDSKODQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.73
Rot. Bonds3

About 2-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole

2-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole (PubChem CID 106376686) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
PubChem CID106376686
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(CN2CC(C3CCCCC3)NCC2C)o1
InChIInChI=1S/C16H27N3O/c1-12-8-17-15(14-6-4-3-5-7-14)10-19(12)11-16-18-9-13(2)20-16/h9,12,14-15,17H,3-8,10-11H2,1-2H3
InChIKeyOXMYCTDUDSKODQ-UHFFFAOYSA-N
XLogP2.73
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole
CID 106376640
2-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-5-methylpyrazine
CID 64939610
2-[(3-cyclopropylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376781
5-methyl-2-[(2,5,5-trimethylpiperazin-1-yl)methyl]-1,3-oxazole
CID 106376719
3-[2-(5-cyclohexyl-2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 106408900
4-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one
CID 106383596
2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-5-methyl-1,3-oxazole
CID 106376763
5-cyclohexyl-2-methyl-1-(2,2,2-trifluoroethyl)piperazine
CID 64860745
5-cyclopropyl-2-methyl-1-(pyridin-4-ylmethyl)piperazine
CID 64860864
5-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole
CID 106421827
5-cyclohexyl-1-(3-methoxypropyl)-2-methylpiperazine
CID 64860169
5-cyclohexyl-2-methyl-1-(2-methylpentyl)piperazine
CID 64860363

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole (CID 106376686) is 2-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole is Cc1cnc(CN2CC(C3CCCCC3)NCC2C)o1.
What is the InChIKey of 2-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole?
The InChIKey is OXMYCTDUDSKODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12-8-17-15(14-6-4-3-5-7-14)10-19(12)11-16-18-9-13(2)20-16/h9,12,14-15,17H,3-8,10-11H2,1-2H3.
What are the key properties of 2-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole?
2-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole has a molecular weight of 277.41 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 106376686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).