2-(benzotriazol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide

C16H18N6O3 — CID 77092880

IUPAC2-(benzotriazol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
SMILESO=C(Cn1nc2ccccc2n1)NCCc1noc(C2CCCO2)n1
InChIInChI=1S/C16H18N6O3/c23-15(10-22-19-11-4-1-2-5-12(11)20-22)17-8-7-14-18-16(25-21-14)13-6-3-9-24-13/h1-2,4-5,13H,3,6-10H2,(H,17,23)
InChIKeyTXISMIHSXVLVCK-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.02
Rot. Bonds6

About 2-(benzotriazol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide

2-(benzotriazol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide (PubChem CID 77092880) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
PubChem CID77092880
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC Name2-(benzotriazol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
SMILESO=C(Cn1nc2ccccc2n1)NCCc1noc(C2CCCO2)n1
InChIInChI=1S/C16H18N6O3/c23-15(10-22-19-11-4-1-2-5-12(11)20-22)17-8-7-14-18-16(25-21-14)13-6-3-9-24-13/h1-2,4-5,13H,3,6-10H2,(H,17,23)
InChIKeyTXISMIHSXVLVCK-UHFFFAOYSA-N
XLogP1.02
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
The IUPAC name of 2-(benzotriazol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide (CID 77092880) is 2-(benzotriazol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
The canonical SMILES for 2-(benzotriazol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide is O=C(Cn1nc2ccccc2n1)NCCc1noc(C2CCCO2)n1.
What is the InChIKey of 2-(benzotriazol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
The InChIKey is TXISMIHSXVLVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c23-15(10-22-19-11-4-1-2-5-12(11)20-22)17-8-7-14-18-16(25-21-14)13-6-3-9-24-13/h1-2,4-5,13H,3,6-10H2,(H,17,23).
What are the key properties of 2-(benzotriazol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
2-(benzotriazol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide has a molecular weight of 342.36 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide is sourced from PubChem (CID 77092880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).