1-[2-[(3,4-dichlorophenoxy)methyl]phenyl]-N-methoxy-1-(1,2-oxazol-3-yl)methanimine

C18H14Cl2N2O3 — CID 122177220

IUPAC1-[2-[(3,4-dichlorophenoxy)methyl]phenyl]-N-methoxy-1-(1,2-oxazol-3-yl)methanimine
SMILESCON=C(c1ccon1)c1ccccc1COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H14Cl2N2O3/c1-23-22-18(17-8-9-25-21-17)14-5-3-2-4-12(14)11-24-13-6-7-15(19)16(20)10-13/h2-10H,11H2,1H3
InChIKeyJYVVXZHLIORPOM-UHFFFAOYSA-N
MW377.23 g/mol
LogP4.96
Rot. Bonds6

About 1-[2-[(3,4-dichlorophenoxy)methyl]phenyl]-N-methoxy-1-(1,2-oxazol-3-yl)methanimine

1-[2-[(3,4-dichlorophenoxy)methyl]phenyl]-N-methoxy-1-(1,2-oxazol-3-yl)methanimine (PubChem CID 122177220) has the molecular formula C18H14Cl2N2O3 and a molecular weight of 377.23 g/mol. Its IUPAC name is 1-[2-[(3,4-dichlorophenoxy)methyl]phenyl]-N-methoxy-1-(1,2-oxazol-3-yl)methanimine.

Molecular Properties

Compound Name1-[2-[(3,4-dichlorophenoxy)methyl]phenyl]-N-methoxy-1-(1,2-oxazol-3-yl)methanimine
PubChem CID122177220
Molecular FormulaC18H14Cl2N2O3
Molecular Weight377.23 g/mol
Exact Mass376.04
IUPAC Name1-[2-[(3,4-dichlorophenoxy)methyl]phenyl]-N-methoxy-1-(1,2-oxazol-3-yl)methanimine
SMILESCON=C(c1ccon1)c1ccccc1COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H14Cl2N2O3/c1-23-22-18(17-8-9-25-21-17)14-5-3-2-4-12(14)11-24-13-6-7-15(19)16(20)10-13/h2-10H,11H2,1H3
InChIKeyJYVVXZHLIORPOM-UHFFFAOYSA-N
XLogP4.96
TPSA56.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,4-dichlorophenoxy)methyl]phenyl]-N-methoxy-1-(1,2-oxazol-3-yl)methanimine?
The IUPAC name of 1-[2-[(3,4-dichlorophenoxy)methyl]phenyl]-N-methoxy-1-(1,2-oxazol-3-yl)methanimine (CID 122177220) is 1-[2-[(3,4-dichlorophenoxy)methyl]phenyl]-N-methoxy-1-(1,2-oxazol-3-yl)methanimine.
What is the SMILES notation for 1-[2-[(3,4-dichlorophenoxy)methyl]phenyl]-N-methoxy-1-(1,2-oxazol-3-yl)methanimine?
The canonical SMILES for 1-[2-[(3,4-dichlorophenoxy)methyl]phenyl]-N-methoxy-1-(1,2-oxazol-3-yl)methanimine is CON=C(c1ccon1)c1ccccc1COc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[2-[(3,4-dichlorophenoxy)methyl]phenyl]-N-methoxy-1-(1,2-oxazol-3-yl)methanimine?
The InChIKey is JYVVXZHLIORPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3/c1-23-22-18(17-8-9-25-21-17)14-5-3-2-4-12(14)11-24-13-6-7-15(19)16(20)10-13/h2-10H,11H2,1H3.
What are the key properties of 1-[2-[(3,4-dichlorophenoxy)methyl]phenyl]-N-methoxy-1-(1,2-oxazol-3-yl)methanimine?
1-[2-[(3,4-dichlorophenoxy)methyl]phenyl]-N-methoxy-1-(1,2-oxazol-3-yl)methanimine has a molecular weight of 377.23 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,4-dichlorophenoxy)methyl]phenyl]-N-methoxy-1-(1,2-oxazol-3-yl)methanimine is sourced from PubChem (CID 122177220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).