2-[4-(1,2,4-oxadiazol-5-ylmethyl)piperazin-1-yl]acetamide

C9H15N5O2 — CID 141212564

IUPAC2-[4-(1,2,4-oxadiazol-5-ylmethyl)piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(Cc2ncno2)CC1
InChIInChI=1S/C9H15N5O2/c10-8(15)5-13-1-3-14(4-2-13)6-9-11-7-12-16-9/h7H,1-6H2,(H2,10,15)
InChIKeyDFJCRJOBWSQNRN-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.33
Rot. Bonds4

About 2-[4-(1,2,4-oxadiazol-5-ylmethyl)piperazin-1-yl]acetamide

2-[4-(1,2,4-oxadiazol-5-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 141212564) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[4-(1,2,4-oxadiazol-5-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(1,2,4-oxadiazol-5-ylmethyl)piperazin-1-yl]acetamide
PubChem CID141212564
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name2-[4-(1,2,4-oxadiazol-5-ylmethyl)piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(Cc2ncno2)CC1
InChIInChI=1S/C9H15N5O2/c10-8(15)5-13-1-3-14(4-2-13)6-9-11-7-12-16-9/h7H,1-6H2,(H2,10,15)
InChIKeyDFJCRJOBWSQNRN-UHFFFAOYSA-N
XLogP-1.33
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2,4-oxadiazol-5-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-(1,2,4-oxadiazol-5-ylmethyl)piperazin-1-yl]acetamide (CID 141212564) is 2-[4-(1,2,4-oxadiazol-5-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(1,2,4-oxadiazol-5-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(1,2,4-oxadiazol-5-ylmethyl)piperazin-1-yl]acetamide is NC(=O)CN1CCN(Cc2ncno2)CC1.
What is the InChIKey of 2-[4-(1,2,4-oxadiazol-5-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is DFJCRJOBWSQNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c10-8(15)5-13-1-3-14(4-2-13)6-9-11-7-12-16-9/h7H,1-6H2,(H2,10,15).
What are the key properties of 2-[4-(1,2,4-oxadiazol-5-ylmethyl)piperazin-1-yl]acetamide?
2-[4-(1,2,4-oxadiazol-5-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 225.25 g/mol, XLogP of -1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2,4-oxadiazol-5-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 141212564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).