(Z)-1-(2-methoxynaphthalen-1-yl)-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine

C23H20N2O4 — CID 36565245

IUPAC(Z)-1-(2-methoxynaphthalen-1-yl)-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine
SMILESCOc1ccc(-c2cc(CO/N=C\c3c(OC)ccc4ccccc34)on2)cc1
InChIInChI=1S/C23H20N2O4/c1-26-18-10-7-17(8-11-18)22-13-19(29-25-22)15-28-24-14-21-20-6-4-3-5-16(20)9-12-23(21)27-2/h3-14H,15H2,1-2H3/b24-14-
InChIKeyLKCKRSDODAIQCL-OYKKKHCWSA-N
MW388.42 g/mol
LogP5.06
Rot. Bonds7

About (Z)-1-(2-methoxynaphthalen-1-yl)-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine

(Z)-1-(2-methoxynaphthalen-1-yl)-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine (PubChem CID 36565245) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is (Z)-1-(2-methoxynaphthalen-1-yl)-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine.

Molecular Properties

Compound Name(Z)-1-(2-methoxynaphthalen-1-yl)-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine
PubChem CID36565245
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name(Z)-1-(2-methoxynaphthalen-1-yl)-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine
SMILESCOc1ccc(-c2cc(CO/N=C\c3c(OC)ccc4ccccc34)on2)cc1
InChIInChI=1S/C23H20N2O4/c1-26-18-10-7-17(8-11-18)22-13-19(29-25-22)15-28-24-14-21-20-6-4-3-5-16(20)9-12-23(21)27-2/h3-14H,15H2,1-2H3/b24-14-
InChIKeyLKCKRSDODAIQCL-OYKKKHCWSA-N
XLogP5.06
TPSA66.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.42
LogP ≤ 55.06
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'}

Analyze (Z)-1-(2-methoxynaphthalen-1-yl)-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine with MolForge

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Related Compounds

(E)-1-(4-ethoxyphenyl)-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine
CID 43055474
(E)-1-(2-methoxynaphthalen-1-yl)-N-trimethylsilylmethanimine
CID 15419490
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2,3-dimethoxybenzoate
CID 17482588
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892996
N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 708036
2-[(E)-[2-(4,6-dimethoxypyrimidin-2-yl)oxynaphthalen-1-yl]methylideneamino]oxyacetic acid
CID 134122267
methyl 4-[5-[[2-(4-methoxyphenyl)phenoxy]methyl]-1,2-oxazol-3-yl]benzoate
CID 134847157
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]naphthalen-2-amine
CID 6024957
3-(2,5-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 4528877
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6890833
2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136920869
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(3-methoxyphenoxy)acetamide
CID 19208685

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-methoxynaphthalen-1-yl)-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine?
The IUPAC name of (Z)-1-(2-methoxynaphthalen-1-yl)-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine (CID 36565245) is (Z)-1-(2-methoxynaphthalen-1-yl)-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine.
What is the SMILES notation for (Z)-1-(2-methoxynaphthalen-1-yl)-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine?
The canonical SMILES for (Z)-1-(2-methoxynaphthalen-1-yl)-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine is COc1ccc(-c2cc(CO/N=C\c3c(OC)ccc4ccccc34)on2)cc1.
What is the InChIKey of (Z)-1-(2-methoxynaphthalen-1-yl)-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine?
The InChIKey is LKCKRSDODAIQCL-OYKKKHCWSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-26-18-10-7-17(8-11-18)22-13-19(29-25-22)15-28-24-14-21-20-6-4-3-5-16(20)9-12-23(21)27-2/h3-14H,15H2,1-2H3/b24-14-.
What are the key properties of (Z)-1-(2-methoxynaphthalen-1-yl)-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine?
(Z)-1-(2-methoxynaphthalen-1-yl)-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine has a molecular weight of 388.42 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-methoxynaphthalen-1-yl)-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]methanimine is sourced from PubChem (CID 36565245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).