4-[(2-bromo-4-methylphenyl)iminomethyl]-2-(3-methoxyphenyl)-1,3-oxazol-5-ol

C18H15BrN2O3 — CID 3307056

IUPAC4-[(2-bromo-4-methylphenyl)iminomethyl]-2-(3-methoxyphenyl)-1,3-oxazol-5-ol
SMILESCOc1cccc(-c2nc(/C=N/c3ccc(C)cc3Br)c(O)o2)c1
InChIInChI=1S/C18H15BrN2O3/c1-11-6-7-15(14(19)8-11)20-10-16-18(22)24-17(21-16)12-4-3-5-13(9-12)23-2/h3-10,22H,1-2H3/b20-10+
InChIKeyBRHRJQDXDGZYAU-KEBDBYFISA-N
MW387.23 g/mol
LogP4.88
Rot. Bonds4

About 4-[(2-bromo-4-methylphenyl)iminomethyl]-2-(3-methoxyphenyl)-1,3-oxazol-5-ol

4-[(2-bromo-4-methylphenyl)iminomethyl]-2-(3-methoxyphenyl)-1,3-oxazol-5-ol (PubChem CID 3307056) has the molecular formula C18H15BrN2O3 and a molecular weight of 387.23 g/mol. Its IUPAC name is 4-[(2-bromo-4-methylphenyl)iminomethyl]-2-(3-methoxyphenyl)-1,3-oxazol-5-ol.

Molecular Properties

Compound Name4-[(2-bromo-4-methylphenyl)iminomethyl]-2-(3-methoxyphenyl)-1,3-oxazol-5-ol
PubChem CID3307056
Molecular FormulaC18H15BrN2O3
Molecular Weight387.23 g/mol
Exact Mass386.03
IUPAC Name4-[(2-bromo-4-methylphenyl)iminomethyl]-2-(3-methoxyphenyl)-1,3-oxazol-5-ol
SMILESCOc1cccc(-c2nc(/C=N/c3ccc(C)cc3Br)c(O)o2)c1
InChIInChI=1S/C18H15BrN2O3/c1-11-6-7-15(14(19)8-11)20-10-16-18(22)24-17(21-16)12-4-3-5-13(9-12)23-2/h3-10,22H,1-2H3/b20-10+
InChIKeyBRHRJQDXDGZYAU-KEBDBYFISA-N
XLogP4.88
TPSA67.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-chloro-4-fluorophenyl)iminomethyl]-2-(3-methoxyphenyl)-1,3-oxazol-5-ol
CID 3553107
4-[(2-bromo-4-methylphenyl)iminomethyl]-2-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5-ol
CID 135544694
ethyl 2-[2-[(E)-[5-hydroxy-2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methylideneamino]-1,3-thiazol-4-yl]acetate
CID 135821614
4-[(3-methylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 571302
4-[(6-ethoxy-1,3-benzothiazol-2-yl)iminomethyl]-2-(3-methoxyphenyl)-1,3-oxazol-5-ol
CID 3681797
2-(5-chloro-2-methoxyphenyl)-4-[(2,4-dibromophenyl)iminomethyl]-1,3-oxazol-5-ol
CID 4021538
4-[(4-methylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 571303
4-[(2-chlorophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol
CID 4247751
4-[(2-bromophenyl)iminomethyl]-2-(4-chlorophenyl)-1,3-oxazol-5-ol
CID 5201918
3-[(2-bromo-4-methylphenyl)iminomethyl]-5-methoxy-1H-indol-2-ol
CID 136996408
4-[(6-methyl-2-pyridinyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol
CID 5015995
4-[(E)-(4,6-dimethylpyrimidin-2-yl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 135420862

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-4-methylphenyl)iminomethyl]-2-(3-methoxyphenyl)-1,3-oxazol-5-ol?
The IUPAC name of 4-[(2-bromo-4-methylphenyl)iminomethyl]-2-(3-methoxyphenyl)-1,3-oxazol-5-ol (CID 3307056) is 4-[(2-bromo-4-methylphenyl)iminomethyl]-2-(3-methoxyphenyl)-1,3-oxazol-5-ol.
What is the SMILES notation for 4-[(2-bromo-4-methylphenyl)iminomethyl]-2-(3-methoxyphenyl)-1,3-oxazol-5-ol?
The canonical SMILES for 4-[(2-bromo-4-methylphenyl)iminomethyl]-2-(3-methoxyphenyl)-1,3-oxazol-5-ol is COc1cccc(-c2nc(/C=N/c3ccc(C)cc3Br)c(O)o2)c1.
What is the InChIKey of 4-[(2-bromo-4-methylphenyl)iminomethyl]-2-(3-methoxyphenyl)-1,3-oxazol-5-ol?
The InChIKey is BRHRJQDXDGZYAU-KEBDBYFISA-N. The full InChI is InChI=1S/C18H15BrN2O3/c1-11-6-7-15(14(19)8-11)20-10-16-18(22)24-17(21-16)12-4-3-5-13(9-12)23-2/h3-10,22H,1-2H3/b20-10+.
What are the key properties of 4-[(2-bromo-4-methylphenyl)iminomethyl]-2-(3-methoxyphenyl)-1,3-oxazol-5-ol?
4-[(2-bromo-4-methylphenyl)iminomethyl]-2-(3-methoxyphenyl)-1,3-oxazol-5-ol has a molecular weight of 387.23 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-4-methylphenyl)iminomethyl]-2-(3-methoxyphenyl)-1,3-oxazol-5-ol is sourced from PubChem (CID 3307056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).