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

C10H17N3O — CID 82670184

IUPAC5-(2-ethylpiperazin-1-yl)-3-methyl-1,2-oxazole
SMILESCCC1CNCCN1c1cc(C)no1
InChIInChI=1S/C10H17N3O/c1-3-9-7-11-4-5-13(9)10-6-8(2)12-14-10/h6,9,11H,3-5,7H2,1-2H3
InChIKeyXQPXNDVZQHOWNR-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.17
Rot. Bonds2

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

5-(2-ethylpiperazin-1-yl)-3-methyl-1,2-oxazole (PubChem CID 82670184) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-(2-ethylpiperazin-1-yl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(2-ethylpiperazin-1-yl)-3-methyl-1,2-oxazole
PubChem CID82670184
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-(2-ethylpiperazin-1-yl)-3-methyl-1,2-oxazole
SMILESCCC1CNCCN1c1cc(C)no1
InChIInChI=1S/C10H17N3O/c1-3-9-7-11-4-5-13(9)10-6-8(2)12-14-10/h6,9,11H,3-5,7H2,1-2H3
InChIKeyXQPXNDVZQHOWNR-UHFFFAOYSA-N
XLogP1.17
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpiperazin-1-yl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(2-ethylpiperazin-1-yl)-3-methyl-1,2-oxazole (CID 82670184) is 5-(2-ethylpiperazin-1-yl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(2-ethylpiperazin-1-yl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(2-ethylpiperazin-1-yl)-3-methyl-1,2-oxazole is CCC1CNCCN1c1cc(C)no1.
What is the InChIKey of 5-(2-ethylpiperazin-1-yl)-3-methyl-1,2-oxazole?
The InChIKey is XQPXNDVZQHOWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-9-7-11-4-5-13(9)10-6-8(2)12-14-10/h6,9,11H,3-5,7H2,1-2H3.
What are the key properties of 5-(2-ethylpiperazin-1-yl)-3-methyl-1,2-oxazole?
5-(2-ethylpiperazin-1-yl)-3-methyl-1,2-oxazole has a molecular weight of 195.27 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpiperazin-1-yl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 82670184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).