3-[(2,5-dichlorophenoxy)methyl]-5-methyl-1,2-oxazole

C11H9Cl2NO2 — CID 78807744

IUPAC3-[(2,5-dichlorophenoxy)methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(COc2cc(Cl)ccc2Cl)no1
InChIInChI=1S/C11H9Cl2NO2/c1-7-4-9(14-16-7)6-15-11-5-8(12)2-3-10(11)13/h2-5H,6H2,1H3
InChIKeyZOXCCYYZHILTTP-UHFFFAOYSA-N
MW258.10 g/mol
LogP3.87
Rot. Bonds3

About 3-[(2,5-dichlorophenoxy)methyl]-5-methyl-1,2-oxazole

3-[(2,5-dichlorophenoxy)methyl]-5-methyl-1,2-oxazole (PubChem CID 78807744) has the molecular formula C11H9Cl2NO2 and a molecular weight of 258.10 g/mol. Its IUPAC name is 3-[(2,5-dichlorophenoxy)methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(2,5-dichlorophenoxy)methyl]-5-methyl-1,2-oxazole
PubChem CID78807744
Molecular FormulaC11H9Cl2NO2
Molecular Weight258.10 g/mol
Exact Mass257.00
IUPAC Name3-[(2,5-dichlorophenoxy)methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(COc2cc(Cl)ccc2Cl)no1
InChIInChI=1S/C11H9Cl2NO2/c1-7-4-9(14-16-7)6-15-11-5-8(12)2-3-10(11)13/h2-5H,6H2,1H3
InChIKeyZOXCCYYZHILTTP-UHFFFAOYSA-N
XLogP3.87
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanol
CID 55031218
3-[[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 112796498
3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzoic acid
CID 45293842
1-[5-[(2,5-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 55077884
N-[1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 62074068
3-[(5-chloro-1H-indazol-6-yl)oxymethyl]-5-methyl-1,2-oxazole
CID 171644744
3-[(2-bromo-4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole
CID 28782461
N-[[3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 63057024
3-chloro-6-[(2,5-dichlorophenoxy)methyl]pyridazine
CID 104514067
2-chloro-5-[(2,5-dichlorophenoxy)methyl]pyrazine
CID 103054688
3-[(2-ethylphenoxy)methyl]-5-methyl-1,2-oxazole
CID 60673786
1,4-dichloro-2-[(4-methylphenyl)methoxy]benzene
CID 71651492

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorophenoxy)methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[(2,5-dichlorophenoxy)methyl]-5-methyl-1,2-oxazole (CID 78807744) is 3-[(2,5-dichlorophenoxy)methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[(2,5-dichlorophenoxy)methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[(2,5-dichlorophenoxy)methyl]-5-methyl-1,2-oxazole is Cc1cc(COc2cc(Cl)ccc2Cl)no1.
What is the InChIKey of 3-[(2,5-dichlorophenoxy)methyl]-5-methyl-1,2-oxazole?
The InChIKey is ZOXCCYYZHILTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO2/c1-7-4-9(14-16-7)6-15-11-5-8(12)2-3-10(11)13/h2-5H,6H2,1H3.
What are the key properties of 3-[(2,5-dichlorophenoxy)methyl]-5-methyl-1,2-oxazole?
3-[(2,5-dichlorophenoxy)methyl]-5-methyl-1,2-oxazole has a molecular weight of 258.10 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorophenoxy)methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 78807744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).