2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole

C14H25N3O — CID 106389939

IUPAC2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole
SMILESCCC1(CC)CN(C(C)c2ncc(C)o2)CCN1
InChIInChI=1S/C14H25N3O/c1-5-14(6-2)10-17(8-7-16-14)12(4)13-15-9-11(3)18-13/h9,12,16H,5-8,10H2,1-4H3
InChIKeyFOHQXCGDROLQDM-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.51
Rot. Bonds4

About 2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole

2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole (PubChem CID 106389939) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole
PubChem CID106389939
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole
SMILESCCC1(CC)CN(C(C)c2ncc(C)o2)CCN1
InChIInChI=1S/C14H25N3O/c1-5-14(6-2)10-17(8-7-16-14)12(4)13-15-9-11(3)18-13/h9,12,16H,5-8,10H2,1-4H3
InChIKeyFOHQXCGDROLQDM-UHFFFAOYSA-N
XLogP2.51
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(6,9-diazaspiro[4.5]decan-9-yl)ethyl]-5-methyl-1,3-oxazole
CID 106389916
2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64953645
5-methyl-2-[1-(3-propylpiperazin-1-yl)ethyl]-1,3-oxazole
CID 106389972
3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine
CID 64954383
3,3-diethyl-1-pentan-3-ylpiperazine
CID 64925599
1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-N-propylpiperidin-3-amine
CID 114182566
2-[(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376737
4-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79237989
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-ethyl-3-methylpiperazine
CID 64951935
5-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole
CID 64943457
1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-N-propan-2-ylpiperidin-3-amine
CID 103895042
5-methyl-2-[1-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,3-oxazole
CID 106389948

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole (CID 106389939) is 2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole is CCC1(CC)CN(C(C)c2ncc(C)o2)CCN1.
What is the InChIKey of 2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole?
The InChIKey is FOHQXCGDROLQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-14(6-2)10-17(8-7-16-14)12(4)13-15-9-11(3)18-13/h9,12,16H,5-8,10H2,1-4H3.
What are the key properties of 2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole?
2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole has a molecular weight of 251.37 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 106389939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).