1-[2-[(4-chlorophenoxy)methyl]phenyl]-N-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)methanimine

C18H16ClN3O3 — CID 54395015

IUPAC1-[2-[(4-chlorophenoxy)methyl]phenyl]-N-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)methanimine
SMILESCON=C(c1noc(C)n1)c1ccccc1COc1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O3/c1-12-20-18(22-25-12)17(21-23-2)16-6-4-3-5-13(16)11-24-15-9-7-14(19)8-10-15/h3-10H,11H2,1-2H3
InChIKeyVJICUVFIQKXXFJ-UHFFFAOYSA-N
MW357.80 g/mol
LogP4.01
Rot. Bonds6

About 1-[2-[(4-chlorophenoxy)methyl]phenyl]-N-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)methanimine

1-[2-[(4-chlorophenoxy)methyl]phenyl]-N-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)methanimine (PubChem CID 54395015) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenoxy)methyl]phenyl]-N-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)methanimine.

Molecular Properties

Compound Name1-[2-[(4-chlorophenoxy)methyl]phenyl]-N-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)methanimine
PubChem CID54395015
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name1-[2-[(4-chlorophenoxy)methyl]phenyl]-N-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)methanimine
SMILESCON=C(c1noc(C)n1)c1ccccc1COc1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O3/c1-12-20-18(22-25-12)17(21-23-2)16-6-4-3-5-13(16)11-24-15-9-7-14(19)8-10-15/h3-10H,11H2,1-2H3
InChIKeyVJICUVFIQKXXFJ-UHFFFAOYSA-N
XLogP4.01
TPSA69.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Related Compounds

1-[2-[(3,4-dichlorophenoxy)methyl]phenyl]-N-methoxy-1-(1,2-oxazol-3-yl)methanimine
CID 122177220
2-[(4-chlorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 43185374
(1Z)-N-methoxy-2-[(4-methylphenoxy)methyl]benzenecarboximidoyl cyanide
CID 22415779
2-[(3-chloro-4-fluorophenoxy)methyl]-N-methoxybenzenecarboximidoyl cyanide
CID 54371343
(2E)-2-methoxyimino-2-[2-(phenoxymethyl)phenyl]acetaldehyde
CID 59317946
(1Z)-N-methoxy-2-(methoxymethyl)benzenecarboximidoyl chloride
CID 18713744
2-methoxyimino-N'-methyl-2-[2-(phenoxymethyl)phenyl]ethanimidamide
CID 139653553
2-[2-[(3-chloro-5-methylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 142647261
(1Z)-2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]-N-methoxybenzenecarboximidoyl chloride
CID 18930053
methyl (2E)-2-[2-[(4-acetylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 18649055
methyl 2-[2-[(4-acetylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 54461346
methyl 2-[2-[(4-chlorophenoxy)methyl]phenyl]-2-methoxyacetate
CID 101177986

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenoxy)methyl]phenyl]-N-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)methanimine?
The IUPAC name of 1-[2-[(4-chlorophenoxy)methyl]phenyl]-N-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)methanimine (CID 54395015) is 1-[2-[(4-chlorophenoxy)methyl]phenyl]-N-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)methanimine.
What is the SMILES notation for 1-[2-[(4-chlorophenoxy)methyl]phenyl]-N-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)methanimine?
The canonical SMILES for 1-[2-[(4-chlorophenoxy)methyl]phenyl]-N-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)methanimine is CON=C(c1noc(C)n1)c1ccccc1COc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-[(4-chlorophenoxy)methyl]phenyl]-N-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)methanimine?
The InChIKey is VJICUVFIQKXXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-12-20-18(22-25-12)17(21-23-2)16-6-4-3-5-13(16)11-24-15-9-7-14(19)8-10-15/h3-10H,11H2,1-2H3.
What are the key properties of 1-[2-[(4-chlorophenoxy)methyl]phenyl]-N-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)methanimine?
1-[2-[(4-chlorophenoxy)methyl]phenyl]-N-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)methanimine has a molecular weight of 357.80 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenoxy)methyl]phenyl]-N-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)methanimine is sourced from PubChem (CID 54395015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).