1-[2-(difluoromethoxy)phenyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]methanimine

C14H14F2N2O3 — CID 78767083

IUPAC1-[2-(difluoromethoxy)phenyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]methanimine
SMILESCc1noc(C)c1CON=Cc1ccccc1OC(F)F
InChIInChI=1S/C14H14F2N2O3/c1-9-12(10(2)21-18-9)8-19-17-7-11-5-3-4-6-13(11)20-14(15)16/h3-7,14H,8H2,1-2H3
InChIKeyULLJXYUUKHLOTC-UHFFFAOYSA-N
MW296.27 g/mol
LogP3.44
Rot. Bonds6

About 1-[2-(difluoromethoxy)phenyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]methanimine

1-[2-(difluoromethoxy)phenyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]methanimine (PubChem CID 78767083) has the molecular formula C14H14F2N2O3 and a molecular weight of 296.27 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]methanimine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]methanimine
PubChem CID78767083
Molecular FormulaC14H14F2N2O3
Molecular Weight296.27 g/mol
Exact Mass296.10
IUPAC Name1-[2-(difluoromethoxy)phenyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]methanimine
SMILESCc1noc(C)c1CON=Cc1ccccc1OC(F)F
InChIInChI=1S/C14H14F2N2O3/c1-9-12(10(2)21-18-9)8-19-17-7-11-5-3-4-6-13(11)20-14(15)16/h3-7,14H,8H2,1-2H3
InChIKeyULLJXYUUKHLOTC-UHFFFAOYSA-N
XLogP3.44
TPSA56.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 53.44
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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Related Compounds

[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylidenehydrazine
CID 168530523
2-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide
CID 18292189
1-[2-(difluoromethoxy)phenyl]-N-[[2-(difluoromethoxy)phenyl]methylideneamino]methanimine
CID 2341684
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7644292
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(1S)-1-phenylethyl]acetamide
CID 7644363
4-[(2-fluoro-3-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole
CID 103988426
1-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-ethylthiourea
CID 6301268
2-[[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide
CID 5171892
[2-(difluoromethoxy)phenyl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 55544136
(E)-4-[2-(difluoromethoxy)phenyl]but-3-en-2-amine
CID 103091591
(2E)-N-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]acetamide
CID 42929179
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-propan-2-ylphenyl)acetamide
CID 7644360

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]methanimine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]methanimine (CID 78767083) is 1-[2-(difluoromethoxy)phenyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]methanimine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]methanimine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]methanimine is Cc1noc(C)c1CON=Cc1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]methanimine?
The InChIKey is ULLJXYUUKHLOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O3/c1-9-12(10(2)21-18-9)8-19-17-7-11-5-3-4-6-13(11)20-14(15)16/h3-7,14H,8H2,1-2H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]methanimine?
1-[2-(difluoromethoxy)phenyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]methanimine has a molecular weight of 296.27 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]methanimine is sourced from PubChem (CID 78767083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).