N-[[3-[2-(2-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]-1-phenylmethanimine

C22H16FN3O3 — CID 175127360

IUPACN-[[3-[2-(2-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]-1-phenylmethanimine
SMILESFc1ccccc1Oc1ccccc1-c1noc(CON=Cc2ccccc2)n1
InChIInChI=1S/C22H16FN3O3/c23-18-11-5-7-13-20(18)28-19-12-6-4-10-17(19)22-25-21(29-26-22)15-27-24-14-16-8-2-1-3-9-16/h1-14H,15H2
InChIKeyCQEDILBOKBNFPT-UHFFFAOYSA-N
MW389.39 g/mol
LogP5.22
Rot. Bonds7

About N-[[3-[2-(2-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]-1-phenylmethanimine

N-[[3-[2-(2-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]-1-phenylmethanimine (PubChem CID 175127360) has the molecular formula C22H16FN3O3 and a molecular weight of 389.39 g/mol. Its IUPAC name is N-[[3-[2-(2-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[[3-[2-(2-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]-1-phenylmethanimine
PubChem CID175127360
Molecular FormulaC22H16FN3O3
Molecular Weight389.39 g/mol
Exact Mass389.12
IUPAC NameN-[[3-[2-(2-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]-1-phenylmethanimine
SMILESFc1ccccc1Oc1ccccc1-c1noc(CON=Cc2ccccc2)n1
InChIInChI=1S/C22H16FN3O3/c23-18-11-5-7-13-20(18)28-19-12-6-4-10-17(19)22-25-21(29-26-22)15-27-24-14-16-8-2-1-3-9-16/h1-14H,15H2
InChIKeyCQEDILBOKBNFPT-UHFFFAOYSA-N
XLogP5.22
TPSA69.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.39
LogP ≤ 55.22
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

(Z)-1-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine
CID 9354617
(Z)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(4-propan-2-ylphenyl)methanimine
CID 7702638
(Z)-1-(4-chlorophenyl)-N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine
CID 9353919
(Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine
CID 7703084
(Z)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(3-methoxy-4-propoxyphenyl)methanimine
CID 9355027
2-[2-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032593
(E)-1-(4-chlorophenyl)-N-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methoxy]methanimine
CID 78817364
5-ethyl-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 129238942
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluorobenzoate
CID 18171401
(Z)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(4-ethylphenyl)methanimine
CID 9354208
3-phenyl-5-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole
CID 4795932
(Z)-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(4-ethoxyphenyl)methanimine
CID 9354521

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(2-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]-1-phenylmethanimine?
The IUPAC name of N-[[3-[2-(2-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]-1-phenylmethanimine (CID 175127360) is N-[[3-[2-(2-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]-1-phenylmethanimine.
What is the SMILES notation for N-[[3-[2-(2-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]-1-phenylmethanimine?
The canonical SMILES for N-[[3-[2-(2-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]-1-phenylmethanimine is Fc1ccccc1Oc1ccccc1-c1noc(CON=Cc2ccccc2)n1.
What is the InChIKey of N-[[3-[2-(2-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]-1-phenylmethanimine?
The InChIKey is CQEDILBOKBNFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O3/c23-18-11-5-7-13-20(18)28-19-12-6-4-10-17(19)22-25-21(29-26-22)15-27-24-14-16-8-2-1-3-9-16/h1-14H,15H2.
What are the key properties of N-[[3-[2-(2-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]-1-phenylmethanimine?
N-[[3-[2-(2-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]-1-phenylmethanimine has a molecular weight of 389.39 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(2-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]-1-phenylmethanimine is sourced from PubChem (CID 175127360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).