5-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole

C14H23ClN4O2 — CID 71988766

IUPAC5-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole
SMILESC=C(Cl)CN1CCN(Cc2nc(C(C)OCC)no2)CC1
InChIInChI=1S/C14H23ClN4O2/c1-4-20-12(3)14-16-13(21-17-14)10-19-7-5-18(6-8-19)9-11(2)15/h12H,2,4-10H2,1,3H3
InChIKeyBLXVOOAWEYCFON-UHFFFAOYSA-N
MW314.82 g/mol
LogP2.04
Rot. Bonds7

About 5-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole

5-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole (PubChem CID 71988766) has the molecular formula C14H23ClN4O2 and a molecular weight of 314.82 g/mol. Its IUPAC name is 5-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole
PubChem CID71988766
Molecular FormulaC14H23ClN4O2
Molecular Weight314.82 g/mol
Exact Mass314.15
IUPAC Name5-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole
SMILESC=C(Cl)CN1CCN(Cc2nc(C(C)OCC)no2)CC1
InChIInChI=1S/C14H23ClN4O2/c1-4-20-12(3)14-16-13(21-17-14)10-19-7-5-18(6-8-19)9-11(2)15/h12H,2,4-10H2,1,3H3
InChIKeyBLXVOOAWEYCFON-UHFFFAOYSA-N
XLogP2.04
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole (CID 71988766) is 5-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole is C=C(Cl)CN1CCN(Cc2nc(C(C)OCC)no2)CC1.
What is the InChIKey of 5-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole?
The InChIKey is BLXVOOAWEYCFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O2/c1-4-20-12(3)14-16-13(21-17-14)10-19-7-5-18(6-8-19)9-11(2)15/h12H,2,4-10H2,1,3H3.
What are the key properties of 5-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole?
5-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole has a molecular weight of 314.82 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 71988766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).