2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole

C12H21N5O — CID 66203343

IUPAC2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(CN2CCN(C3CNC3)CC2)o1
InChIInChI=1S/C12H21N5O/c1-2-11-14-15-12(18-11)9-16-3-5-17(6-4-16)10-7-13-8-10/h10,13H,2-9H2,1H3
InChIKeyTYIKKSLOOITLAW-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.28
Rot. Bonds4

About 2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole

2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole (PubChem CID 66203343) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole
PubChem CID66203343
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(CN2CCN(C3CNC3)CC2)o1
InChIInChI=1S/C12H21N5O/c1-2-11-14-15-12(18-11)9-16-3-5-17(6-4-16)10-7-13-8-10/h10,13H,2-9H2,1H3
InChIKeyTYIKKSLOOITLAW-UHFFFAOYSA-N
XLogP-0.28
TPSA57.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole (CID 66203343) is 2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole is CCc1nnc(CN2CCN(C3CNC3)CC2)o1.
What is the InChIKey of 2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole?
The InChIKey is TYIKKSLOOITLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-2-11-14-15-12(18-11)9-16-3-5-17(6-4-16)10-7-13-8-10/h10,13H,2-9H2,1H3.
What are the key properties of 2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole?
2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole has a molecular weight of 251.33 g/mol, XLogP of -0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 66203343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).