(Z)-1-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine

C16H11F2N3O2 — CID 9354617

IUPAC(Z)-1-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine
SMILESFc1ccc(-c2noc(CO/N=C\c3ccccc3F)n2)cc1
InChIInChI=1S/C16H11F2N3O2/c17-13-7-5-11(6-8-13)16-20-15(23-21-16)10-22-19-9-12-3-1-2-4-14(12)18/h1-9H,10H2/b19-9-
InChIKeySCRZFIGKHRIPAC-OCKHKDLRSA-N
MW315.28 g/mol
LogP3.57
Rot. Bonds5

About (Z)-1-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine

(Z)-1-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine (PubChem CID 9354617) has the molecular formula C16H11F2N3O2 and a molecular weight of 315.28 g/mol. Its IUPAC name is (Z)-1-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine.

Molecular Properties

Compound Name(Z)-1-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine
PubChem CID9354617
Molecular FormulaC16H11F2N3O2
Molecular Weight315.28 g/mol
Exact Mass315.08
IUPAC Name(Z)-1-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine
SMILESFc1ccc(-c2noc(CO/N=C\c3ccccc3F)n2)cc1
InChIInChI=1S/C16H11F2N3O2/c17-13-7-5-11(6-8-13)16-20-15(23-21-16)10-22-19-9-12-3-1-2-4-14(12)18/h1-9H,10H2/b19-9-
InChIKeySCRZFIGKHRIPAC-OCKHKDLRSA-N
XLogP3.57
TPSA60.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 53.57
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

N-[[3-[2-(2-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]-1-phenylmethanimine
CID 175127360
(Z)-1-(2-methylphenyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]methanimine
CID 9354567
(Z)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(4-propan-2-ylphenyl)methanimine
CID 7702638
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(2-fluorophenyl)prop-2-enoate
CID 8567018
[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl (E)-3-(2-fluorophenyl)prop-2-enoate
CID 46516374
5-[(4-fluorophenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 2227874
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
CID 30028981
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(4-fluorophenyl)prop-2-enoate
CID 8517681
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 60671278
5-[(2-chloro-4-phenylphenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 18290343
5-[(3-chlorophenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 6461755
5-[(2,5-difluorophenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 86890089

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine?
The IUPAC name of (Z)-1-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine (CID 9354617) is (Z)-1-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine.
What is the SMILES notation for (Z)-1-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine?
The canonical SMILES for (Z)-1-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine is Fc1ccc(-c2noc(CO/N=C\c3ccccc3F)n2)cc1.
What is the InChIKey of (Z)-1-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine?
The InChIKey is SCRZFIGKHRIPAC-OCKHKDLRSA-N. The full InChI is InChI=1S/C16H11F2N3O2/c17-13-7-5-11(6-8-13)16-20-15(23-21-16)10-22-19-9-12-3-1-2-4-14(12)18/h1-9H,10H2/b19-9-.
What are the key properties of (Z)-1-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine?
(Z)-1-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine has a molecular weight of 315.28 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine is sourced from PubChem (CID 9354617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).