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

C17H29N3O — CID 64947329

IUPAC5-[(5-cyclohexyl-2-ethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole
SMILESCCC1CNC(C2CCCCC2)CN1Cc1cc(C)no1
InChIInChI=1S/C17H29N3O/c1-3-15-10-18-17(14-7-5-4-6-8-14)12-20(15)11-16-9-13(2)19-21-16/h9,14-15,17-18H,3-8,10-12H2,1-2H3
InChIKeyQSARXQLMYDOQIY-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.12
Rot. Bonds4

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

5-[(5-cyclohexyl-2-ethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole (PubChem CID 64947329) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 5-[(5-cyclohexyl-2-ethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(5-cyclohexyl-2-ethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole
PubChem CID64947329
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name5-[(5-cyclohexyl-2-ethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole
SMILESCCC1CNC(C2CCCCC2)CN1Cc1cc(C)no1
InChIInChI=1S/C17H29N3O/c1-3-15-10-18-17(14-7-5-4-6-8-14)12-20(15)11-16-9-13(2)19-21-16/h9,14-15,17-18H,3-8,10-12H2,1-2H3
InChIKeyQSARXQLMYDOQIY-UHFFFAOYSA-N
XLogP3.12
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64861828
5-cyclohexyl-2-ethyl-1-(oxan-4-ylmethyl)piperazine
CID 64859995
5-[(2,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole
CID 64937197
5-cyclopropyl-1,2-diethylpiperazine
CID 64862405
5-cyclopropyl-2-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 105375742
5-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-2-ethylpiperazine
CID 107310519
1-[(4-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine
CID 114860665
5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-2-propylpiperazine
CID 64859717
3-methyl-5-[(2-methyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
CID 64937195
5-cyclohexyl-2-ethyl-1-hex-5-ynylpiperazine
CID 106211701
5-[(2,3-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole
CID 120967134
1-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine
CID 64862407

Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyclohexyl-2-ethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[(5-cyclohexyl-2-ethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole (CID 64947329) is 5-[(5-cyclohexyl-2-ethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[(5-cyclohexyl-2-ethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[(5-cyclohexyl-2-ethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole is CCC1CNC(C2CCCCC2)CN1Cc1cc(C)no1.
What is the InChIKey of 5-[(5-cyclohexyl-2-ethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole?
The InChIKey is QSARXQLMYDOQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-15-10-18-17(14-7-5-4-6-8-14)12-20(15)11-16-9-13(2)19-21-16/h9,14-15,17-18H,3-8,10-12H2,1-2H3.
What are the key properties of 5-[(5-cyclohexyl-2-ethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole?
5-[(5-cyclohexyl-2-ethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole has a molecular weight of 291.44 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyclohexyl-2-ethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 64947329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).