2-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]-1-piperazin-1-ylethanone

C10H17N5O2 — CID 61017902

IUPAC2-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)Cc1ncno1
InChIInChI=1S/C10H17N5O2/c1-14(6-9-12-8-13-17-9)7-10(16)15-4-2-11-3-5-15/h8,11H,2-7H2,1H3
InChIKeyIRTBIHQLKGLPAV-UHFFFAOYSA-N
MW239.28 g/mol
LogP-1.07
Rot. Bonds4

About 2-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]-1-piperazin-1-ylethanone

2-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]-1-piperazin-1-ylethanone (PubChem CID 61017902) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]-1-piperazin-1-ylethanone
PubChem CID61017902
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name2-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)Cc1ncno1
InChIInChI=1S/C10H17N5O2/c1-14(6-9-12-8-13-17-9)7-10(16)15-4-2-11-3-5-15/h8,11H,2-7H2,1H3
InChIKeyIRTBIHQLKGLPAV-UHFFFAOYSA-N
XLogP-1.07
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]-1-piperazin-1-ylethanone (CID 61017902) is 2-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]-1-piperazin-1-ylethanone is CN(CC(=O)N1CCNCC1)Cc1ncno1.
What is the InChIKey of 2-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]-1-piperazin-1-ylethanone?
The InChIKey is IRTBIHQLKGLPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-14(6-9-12-8-13-17-9)7-10(16)15-4-2-11-3-5-15/h8,11H,2-7H2,1H3.
What are the key properties of 2-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]-1-piperazin-1-ylethanone?
2-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]-1-piperazin-1-ylethanone has a molecular weight of 239.28 g/mol, XLogP of -1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 61017902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).