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

C19H19N3O2 — CID 7702638

IUPAC(Z)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(4-propan-2-ylphenyl)methanimine
SMILESCC(C)c1ccc(/C=N\OCc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C19H19N3O2/c1-14(2)16-10-8-15(9-11-16)12-20-23-13-18-21-19(22-24-18)17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3/b20-12-
InChIKeyNYMXZNVLPKPCOW-NDENLUEZSA-N
MW321.38 g/mol
LogP4.41
Rot. Bonds6

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

(Z)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(4-propan-2-ylphenyl)methanimine (PubChem CID 7702638) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (Z)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(4-propan-2-ylphenyl)methanimine.

Molecular Properties

Compound Name(Z)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(4-propan-2-ylphenyl)methanimine
PubChem CID7702638
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(Z)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(4-propan-2-ylphenyl)methanimine
SMILESCC(C)c1ccc(/C=N\OCc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C19H19N3O2/c1-14(2)16-10-8-15(9-11-16)12-20-23-13-18-21-19(22-24-18)17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3/b20-12-
InChIKeyNYMXZNVLPKPCOW-NDENLUEZSA-N
XLogP4.41
TPSA60.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.41
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

[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 8521648
(Z)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(4-ethylphenyl)methanimine
CID 9354208
(E)-1-(4-chlorophenyl)-N-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methoxy]methanimine
CID 78817364
N-[[3-[2-(2-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]-1-phenylmethanimine
CID 175127360
2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 61313489
(Z)-1-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine
CID 9354617
(Z)-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-1-(4-ethoxyphenyl)methanimine
CID 9354521
(Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine
CID 9354319
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 30154484
(Z)-1-(2-methylphenyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]methanimine
CID 9354567
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-6-(4-propan-2-ylphenyl)pyridazin-3-one
CID 53077346
1-O-methyl 2-O-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl] benzene-1,2-dicarboxylate
CID 56504594

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(4-propan-2-ylphenyl)methanimine?
The IUPAC name of (Z)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(4-propan-2-ylphenyl)methanimine (CID 7702638) is (Z)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(4-propan-2-ylphenyl)methanimine.
What is the SMILES notation for (Z)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(4-propan-2-ylphenyl)methanimine?
The canonical SMILES for (Z)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(4-propan-2-ylphenyl)methanimine is CC(C)c1ccc(/C=N\OCc2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of (Z)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(4-propan-2-ylphenyl)methanimine?
The InChIKey is NYMXZNVLPKPCOW-NDENLUEZSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14(2)16-10-8-15(9-11-16)12-20-23-13-18-21-19(22-24-18)17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3/b20-12-.
What are the key properties of (Z)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(4-propan-2-ylphenyl)methanimine?
(Z)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(4-propan-2-ylphenyl)methanimine has a molecular weight of 321.38 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(4-propan-2-ylphenyl)methanimine is sourced from PubChem (CID 7702638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).