4-[(5-ethyl-2,5-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole

C14H25N3O — CID 79238559

IUPAC4-[(5-ethyl-2,5-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
SMILESCCC1(C)CN(Cc2c(C)noc2C)C(C)CN1
InChIInChI=1S/C14H25N3O/c1-6-14(5)9-17(10(2)7-15-14)8-13-11(3)16-18-12(13)4/h10,15H,6-9H2,1-5H3
InChIKeyWAWSLCKJSUENJC-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.25
Rot. Bonds3

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

4-[(5-ethyl-2,5-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 79238559) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[(5-ethyl-2,5-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[(5-ethyl-2,5-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID79238559
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-[(5-ethyl-2,5-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
SMILESCCC1(C)CN(Cc2c(C)noc2C)C(C)CN1
InChIInChI=1S/C14H25N3O/c1-6-14(5)9-17(10(2)7-15-14)8-13-11(3)16-18-12(13)4/h10,15H,6-9H2,1-5H3
InChIKeyWAWSLCKJSUENJC-UHFFFAOYSA-N
XLogP2.25
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.25
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
3,5-dimethyl-4-[(2-methyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
CID 79238345
4-[(2,6-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
CID 63909845
1-butyl-5-ethyl-2,5-dimethylpiperazine
CID 64849431
5-[2-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 106408830
4-[1-(2,5-diethyl-5-methylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79238267
1-(2,2-dimethylbutyl)-5-ethyl-2,5-dimethylpiperazine
CID 103465293
5-ethyl-2,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592085
4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
CID 79238563
2-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-4,5-dimethyl-1,3-oxazole
CID 106376843
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethyl-2-methylpiperidin-4-amine
CID 79242411
3-[2-(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
CID 106421527

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-2,5-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[(5-ethyl-2,5-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole (CID 79238559) is 4-[(5-ethyl-2,5-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[(5-ethyl-2,5-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[(5-ethyl-2,5-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole is CCC1(C)CN(Cc2c(C)noc2C)C(C)CN1.
What is the InChIKey of 4-[(5-ethyl-2,5-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is WAWSLCKJSUENJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-6-14(5)9-17(10(2)7-15-14)8-13-11(3)16-18-12(13)4/h10,15H,6-9H2,1-5H3.
What are the key properties of 4-[(5-ethyl-2,5-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole?
4-[(5-ethyl-2,5-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 251.37 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-2,5-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 79238559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).