2-bromo-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol

C14H18BrN3O2 — CID 104938437

IUPAC2-bromo-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCCN(CC)CCc1noc(-c2ccc(Br)c(O)c2)n1
InChIInChI=1S/C14H18BrN3O2/c1-3-18(4-2)8-7-13-16-14(20-17-13)10-5-6-11(15)12(19)9-10/h5-6,9,19H,3-4,7-8H2,1-2H3
InChIKeyGEVOLKZOKWVNIT-UHFFFAOYSA-N
MW340.22 g/mol
LogP3.09
Rot. Bonds6

About 2-bromo-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol

2-bromo-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 104938437) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 2-bromo-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-bromo-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol
PubChem CID104938437
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name2-bromo-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCCN(CC)CCc1noc(-c2ccc(Br)c(O)c2)n1
InChIInChI=1S/C14H18BrN3O2/c1-3-18(4-2)8-7-13-16-14(20-17-13)10-5-6-11(15)12(19)9-10/h5-6,9,19H,3-4,7-8H2,1-2H3
InChIKeyGEVOLKZOKWVNIT-UHFFFAOYSA-N
XLogP3.09
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-bromo-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol (CID 104938437) is 2-bromo-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-bromo-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-bromo-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol is CCN(CC)CCc1noc(-c2ccc(Br)c(O)c2)n1.
What is the InChIKey of 2-bromo-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is GEVOLKZOKWVNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-3-18(4-2)8-7-13-16-14(20-17-13)10-5-6-11(15)12(19)9-10/h5-6,9,19H,3-4,7-8H2,1-2H3.
What are the key properties of 2-bromo-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol?
2-bromo-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 340.22 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 104938437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).