4-[1-(2,5-diethyl-5-methylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole

C16H29N3O — CID 79238267

IUPAC4-[1-(2,5-diethyl-5-methylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
SMILESCCC1CNC(C)(CC)CN1C(C)c1c(C)noc1C
InChIInChI=1S/C16H29N3O/c1-7-14-9-17-16(6,8-2)10-19(14)12(4)15-11(3)18-20-13(15)5/h12,14,17H,7-10H2,1-6H3
InChIKeyWZOLTGAYRCLEPY-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.20
Rot. Bonds4

About 4-[1-(2,5-diethyl-5-methylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole

4-[1-(2,5-diethyl-5-methylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 79238267) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-[1-(2,5-diethyl-5-methylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-(2,5-diethyl-5-methylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
PubChem CID79238267
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name4-[1-(2,5-diethyl-5-methylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
SMILESCCC1CNC(C)(CC)CN1C(C)c1c(C)noc1C
InChIInChI=1S/C16H29N3O/c1-7-14-9-17-16(6,8-2)10-19(14)12(4)15-11(3)18-20-13(15)5/h12,14,17H,7-10H2,1-6H3
InChIKeyWZOLTGAYRCLEPY-UHFFFAOYSA-N
XLogP3.20
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79238128
4-[1-(8-ethyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79231699
4-[1-(2,5-diethylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79237988
4-[1-(5-ethyl-2-methylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79238271
1-[1-(3-chlorophenyl)ethyl]-2,5-diethyl-5-methylpiperazine
CID 64945691
4-[1-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79939895
4-[(5-ethyl-2,5-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
CID 79238559
2,5-diethyl-5-methyl-1-pent-1-yn-3-ylpiperazine
CID 106224493
4-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79237989
2,5-diethyl-5-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 64948112
5-ethyl-5-methyl-1-pentan-3-yl-2-propan-2-ylpiperazine
CID 64931235
5-cyclopropyl-2-ethyl-5-methyl-1-(1-pyridin-4-ylethyl)piperazine
CID 64935896

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,5-diethyl-5-methylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[1-(2,5-diethyl-5-methylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole (CID 79238267) is 4-[1-(2,5-diethyl-5-methylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[1-(2,5-diethyl-5-methylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[1-(2,5-diethyl-5-methylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole is CCC1CNC(C)(CC)CN1C(C)c1c(C)noc1C.
What is the InChIKey of 4-[1-(2,5-diethyl-5-methylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is WZOLTGAYRCLEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-7-14-9-17-16(6,8-2)10-19(14)12(4)15-11(3)18-20-13(15)5/h12,14,17H,7-10H2,1-6H3.
What are the key properties of 4-[1-(2,5-diethyl-5-methylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole?
4-[1-(2,5-diethyl-5-methylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 279.43 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,5-diethyl-5-methylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 79238267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).