N,N-dimethyl-2-[2-[5-[2-(2H-triazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanamine

C16H20N6O2 — CID 146142288

IUPACN,N-dimethyl-2-[2-[5-[2-(2H-triazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanamine
SMILESCN(C)CCOc1ccccc1-c1noc(CCc2cn[nH]n2)n1
InChIInChI=1S/C16H20N6O2/c1-22(2)9-10-23-14-6-4-3-5-13(14)16-18-15(24-20-16)8-7-12-11-17-21-19-12/h3-6,11H,7-10H2,1-2H3,(H,17,19,21)
InChIKeyKXBHXTGMSJYBDM-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.58
Rot. Bonds8

About N,N-dimethyl-2-[2-[5-[2-(2H-triazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanamine

N,N-dimethyl-2-[2-[5-[2-(2H-triazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanamine (PubChem CID 146142288) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[5-[2-(2H-triazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[5-[2-(2H-triazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanamine
PubChem CID146142288
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC NameN,N-dimethyl-2-[2-[5-[2-(2H-triazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanamine
SMILESCN(C)CCOc1ccccc1-c1noc(CCc2cn[nH]n2)n1
InChIInChI=1S/C16H20N6O2/c1-22(2)9-10-23-14-6-4-3-5-13(14)16-18-15(24-20-16)8-7-12-11-17-21-19-12/h3-6,11H,7-10H2,1-2H3,(H,17,19,21)
InChIKeyKXBHXTGMSJYBDM-UHFFFAOYSA-N
XLogP1.58
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[5-[2-(2H-triazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2-[5-[2-(2H-triazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanamine (CID 146142288) is N,N-dimethyl-2-[2-[5-[2-(2H-triazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-[5-[2-(2H-triazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-[5-[2-(2H-triazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanamine is CN(C)CCOc1ccccc1-c1noc(CCc2cn[nH]n2)n1.
What is the InChIKey of N,N-dimethyl-2-[2-[5-[2-(2H-triazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanamine?
The InChIKey is KXBHXTGMSJYBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-22(2)9-10-23-14-6-4-3-5-13(14)16-18-15(24-20-16)8-7-12-11-17-21-19-12/h3-6,11H,7-10H2,1-2H3,(H,17,19,21).
What are the key properties of N,N-dimethyl-2-[2-[5-[2-(2H-triazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanamine?
N,N-dimethyl-2-[2-[5-[2-(2H-triazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanamine has a molecular weight of 328.38 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[5-[2-(2H-triazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanamine is sourced from PubChem (CID 146142288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).