[2-methoxy-5-[(4-phenylphenyl)iminomethyl]phenyl] 5-phenyl-1,2-oxazole-3-carboxylate

C30H22N2O4 — CID 56971064

IUPAC[2-methoxy-5-[(4-phenylphenyl)iminomethyl]phenyl] 5-phenyl-1,2-oxazole-3-carboxylate
SMILESCOc1ccc(/C=N/c2ccc(-c3ccccc3)cc2)cc1OC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C30H22N2O4/c1-34-27-17-12-21(20-31-25-15-13-23(14-16-25)22-8-4-2-5-9-22)18-29(27)35-30(33)26-19-28(36-32-26)24-10-6-3-7-11-24/h2-20H,1H3/b31-20+
InChIKeyFFFZWEQXPBWBBJ-AJBULDERSA-N
MW474.52 g/mol
LogP6.99
Rot. Bonds7

About [2-methoxy-5-[(4-phenylphenyl)iminomethyl]phenyl] 5-phenyl-1,2-oxazole-3-carboxylate

[2-methoxy-5-[(4-phenylphenyl)iminomethyl]phenyl] 5-phenyl-1,2-oxazole-3-carboxylate (PubChem CID 56971064) has the molecular formula C30H22N2O4 and a molecular weight of 474.52 g/mol. Its IUPAC name is [2-methoxy-5-[(4-phenylphenyl)iminomethyl]phenyl] 5-phenyl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Name[2-methoxy-5-[(4-phenylphenyl)iminomethyl]phenyl] 5-phenyl-1,2-oxazole-3-carboxylate
PubChem CID56971064
Molecular FormulaC30H22N2O4
Molecular Weight474.52 g/mol
Exact Mass474.16
IUPAC Name[2-methoxy-5-[(4-phenylphenyl)iminomethyl]phenyl] 5-phenyl-1,2-oxazole-3-carboxylate
SMILESCOc1ccc(/C=N/c2ccc(-c3ccccc3)cc2)cc1OC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C30H22N2O4/c1-34-27-17-12-21(20-31-25-15-13-23(14-16-25)22-8-4-2-5-9-22)18-29(27)35-30(33)26-19-28(36-32-26)24-10-6-3-7-11-24/h2-20H,1H3/b31-20+
InChIKeyFFFZWEQXPBWBBJ-AJBULDERSA-N
XLogP6.99
TPSA73.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.52
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(3-acetyloxy-4-methoxyphenyl)methylideneamino]benzoate
CID 625171
(2-bromophenyl) 5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 17011718
1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)methanimine
CID 964993
N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261874
[2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] 2-chlorobenzoate
CID 1124788
[4-[(4-methylphenyl)iminomethyl]-2-nitrophenyl] benzoate
CID 1244187
[4-[bis(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-2-methoxyphenyl] 5-phenyl-1,2-oxazole-3-carboxylate
CID 71600357
3-[(3,4-dimethoxyphenyl)methylideneamino]benzoic acid
CID 964852
1-(3,4-dimethoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine
CID 35580173
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 5064739
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]ethanone
CID 82130829
1-(3,4-dimethoxyphenyl)-N-(2-phenyl-3H-indol-6-yl)methanimine
CID 158549590

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[(4-phenylphenyl)iminomethyl]phenyl] 5-phenyl-1,2-oxazole-3-carboxylate?
The IUPAC name of [2-methoxy-5-[(4-phenylphenyl)iminomethyl]phenyl] 5-phenyl-1,2-oxazole-3-carboxylate (CID 56971064) is [2-methoxy-5-[(4-phenylphenyl)iminomethyl]phenyl] 5-phenyl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for [2-methoxy-5-[(4-phenylphenyl)iminomethyl]phenyl] 5-phenyl-1,2-oxazole-3-carboxylate?
The canonical SMILES for [2-methoxy-5-[(4-phenylphenyl)iminomethyl]phenyl] 5-phenyl-1,2-oxazole-3-carboxylate is COc1ccc(/C=N/c2ccc(-c3ccccc3)cc2)cc1OC(=O)c1cc(-c2ccccc2)on1.
What is the InChIKey of [2-methoxy-5-[(4-phenylphenyl)iminomethyl]phenyl] 5-phenyl-1,2-oxazole-3-carboxylate?
The InChIKey is FFFZWEQXPBWBBJ-AJBULDERSA-N. The full InChI is InChI=1S/C30H22N2O4/c1-34-27-17-12-21(20-31-25-15-13-23(14-16-25)22-8-4-2-5-9-22)18-29(27)35-30(33)26-19-28(36-32-26)24-10-6-3-7-11-24/h2-20H,1H3/b31-20+.
What are the key properties of [2-methoxy-5-[(4-phenylphenyl)iminomethyl]phenyl] 5-phenyl-1,2-oxazole-3-carboxylate?
[2-methoxy-5-[(4-phenylphenyl)iminomethyl]phenyl] 5-phenyl-1,2-oxazole-3-carboxylate has a molecular weight of 474.52 g/mol, XLogP of 6.99, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[(4-phenylphenyl)iminomethyl]phenyl] 5-phenyl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 56971064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).