5-[(5-bromo-2,3-difluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole

C12H11BrF2N2O2 — CID 107098700

IUPAC5-[(5-bromo-2,3-difluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(COc2cc(Br)cc(F)c2F)n1
InChIInChI=1S/C12H11BrF2N2O2/c1-2-3-10-16-11(19-17-10)6-18-9-5-7(13)4-8(14)12(9)15/h4-5H,2-3,6H2,1H3
InChIKeyOQULNFWQMRZQNL-UHFFFAOYSA-N
MW333.13 g/mol
LogP3.64
Rot. Bonds5

About 5-[(5-bromo-2,3-difluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole

5-[(5-bromo-2,3-difluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 107098700) has the molecular formula C12H11BrF2N2O2 and a molecular weight of 333.13 g/mol. Its IUPAC name is 5-[(5-bromo-2,3-difluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(5-bromo-2,3-difluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole
PubChem CID107098700
Molecular FormulaC12H11BrF2N2O2
Molecular Weight333.13 g/mol
Exact Mass332.00
IUPAC Name5-[(5-bromo-2,3-difluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(COc2cc(Br)cc(F)c2F)n1
InChIInChI=1S/C12H11BrF2N2O2/c1-2-3-10-16-11(19-17-10)6-18-9-5-7(13)4-8(14)12(9)15/h4-5H,2-3,6H2,1H3
InChIKeyOQULNFWQMRZQNL-UHFFFAOYSA-N
XLogP3.64
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.13
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5-[(5-bromo-2,3-difluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole with MolForge

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

Launch Full Analysis

Related Compounds

5-[(2-fluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole
CID 60731170
5-[(2-fluoro-5-methylphenoxy)methyl]-3-propyl-1,2,4-oxadiazole
CID 64854154
1-[4-bromo-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylethanamine
CID 102947525
4-[(5-bromo-2,3-difluorophenoxy)methyl]-2-propyl-1,3-thiazole
CID 107098522
5-bromo-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
CID 80601584
3-[(5-bromo-2-fluorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
CID 115918530
N-methyl-1-[5-methyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 63322960
4-chloro-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
CID 80708725
3,5-dibromo-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 107738411
2-[(5-bromo-2,3-difluorophenoxy)methyl]-6-methylpyrimidin-4-amine
CID 107100969
5-bromo-1-decoxy-2,3-difluorobenzene
CID 107098815
2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorophenyl]ethanamine
CID 107692730

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2,3-difluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(5-bromo-2,3-difluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole (CID 107098700) is 5-[(5-bromo-2,3-difluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(5-bromo-2,3-difluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(5-bromo-2,3-difluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc(COc2cc(Br)cc(F)c2F)n1.
What is the InChIKey of 5-[(5-bromo-2,3-difluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is OQULNFWQMRZQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF2N2O2/c1-2-3-10-16-11(19-17-10)6-18-9-5-7(13)4-8(14)12(9)15/h4-5H,2-3,6H2,1H3.
What are the key properties of 5-[(5-bromo-2,3-difluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole?
5-[(5-bromo-2,3-difluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 333.13 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2,3-difluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 107098700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).