(4-ethylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone

C13H21N5O2 — CID 104971272

IUPAC(4-ethylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
SMILESCCN1CCN(C(=O)c2noc(C3CCCN3)n2)CC1
InChIInChI=1S/C13H21N5O2/c1-2-17-6-8-18(9-7-17)13(19)11-15-12(20-16-11)10-4-3-5-14-10/h10,14H,2-9H2,1H3
InChIKeySFLZODUMXQCNTG-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.27
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone

(4-ethylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone (PubChem CID 104971272) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
PubChem CID104971272
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name(4-ethylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
SMILESCCN1CCN(C(=O)c2noc(C3CCCN3)n2)CC1
InChIInChI=1S/C13H21N5O2/c1-2-17-6-8-18(9-7-17)13(19)11-15-12(20-16-11)10-4-3-5-14-10/h10,14H,2-9H2,1H3
InChIKeySFLZODUMXQCNTG-UHFFFAOYSA-N
XLogP0.27
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone (CID 104971272) is (4-ethylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone is CCN1CCN(C(=O)c2noc(C3CCCN3)n2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?
The InChIKey is SFLZODUMXQCNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-2-17-6-8-18(9-7-17)13(19)11-15-12(20-16-11)10-4-3-5-14-10/h10,14H,2-9H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?
(4-ethylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone has a molecular weight of 279.34 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone is sourced from PubChem (CID 104971272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).