2-bromo-6-ethoxy-4-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]phenol

C14H15BrN2O3 — CID 167765390

IUPAC2-bromo-6-ethoxy-4-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCCOc1cc(-c2noc(C3CC3C)n2)cc(Br)c1O
InChIInChI=1S/C14H15BrN2O3/c1-3-19-11-6-8(5-10(15)12(11)18)13-16-14(20-17-13)9-4-7(9)2/h5-7,9,18H,3-4H2,1-2H3
InChIKeyYXFODHYVDLRDBW-UHFFFAOYSA-N
MW339.19 g/mol
LogP3.73
Rot. Bonds4

About 2-bromo-6-ethoxy-4-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]phenol

2-bromo-6-ethoxy-4-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 167765390) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 2-bromo-6-ethoxy-4-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name2-bromo-6-ethoxy-4-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID167765390
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name2-bromo-6-ethoxy-4-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCCOc1cc(-c2noc(C3CC3C)n2)cc(Br)c1O
InChIInChI=1S/C14H15BrN2O3/c1-3-19-11-6-8(5-10(15)12(11)18)13-16-14(20-17-13)9-4-7(9)2/h5-7,9,18H,3-4H2,1-2H3
InChIKeyYXFODHYVDLRDBW-UHFFFAOYSA-N
XLogP3.73
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-bromo-6-ethoxy-4-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-ethoxy-4-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 2-bromo-6-ethoxy-4-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]phenol (CID 167765390) is 2-bromo-6-ethoxy-4-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 2-bromo-6-ethoxy-4-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 2-bromo-6-ethoxy-4-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]phenol is CCOc1cc(-c2noc(C3CC3C)n2)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-ethoxy-4-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is YXFODHYVDLRDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-3-19-11-6-8(5-10(15)12(11)18)13-16-14(20-17-13)9-4-7(9)2/h5-7,9,18H,3-4H2,1-2H3.
What are the key properties of 2-bromo-6-ethoxy-4-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]phenol?
2-bromo-6-ethoxy-4-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 339.19 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-ethoxy-4-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 167765390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).