4-[(2-bromo-4,5-dichlorophenyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol

C19H15BrCl2N2O5 — CID 3664727

IUPAC4-[(2-bromo-4,5-dichlorophenyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol
SMILESCOc1cc(-c2nc(/C=N/c3cc(Cl)c(Cl)cc3Br)c(O)o2)cc(OC)c1OC
InChIInChI=1S/C19H15BrCl2N2O5/c1-26-15-4-9(5-16(27-2)17(15)28-3)18-24-14(19(25)29-18)8-23-13-7-12(22)11(21)6-10(13)20/h4-8,25H,1-3H3/b23-8+
InChIKeyJORDZIGTCKDRSD-LIMNOBDPSA-N
MW502.15 g/mol
LogP5.89
Rot. Bonds6

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

4-[(2-bromo-4,5-dichlorophenyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol (PubChem CID 3664727) has the molecular formula C19H15BrCl2N2O5 and a molecular weight of 502.15 g/mol. Its IUPAC name is 4-[(2-bromo-4,5-dichlorophenyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol.

Molecular Properties

Compound Name4-[(2-bromo-4,5-dichlorophenyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol
PubChem CID3664727
Molecular FormulaC19H15BrCl2N2O5
Molecular Weight502.15 g/mol
Exact Mass499.95
IUPAC Name4-[(2-bromo-4,5-dichlorophenyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol
SMILESCOc1cc(-c2nc(/C=N/c3cc(Cl)c(Cl)cc3Br)c(O)o2)cc(OC)c1OC
InChIInChI=1S/C19H15BrCl2N2O5/c1-26-15-4-9(5-16(27-2)17(15)28-3)18-24-14(19(25)29-18)8-23-13-7-12(22)11(21)6-10(13)20/h4-8,25H,1-3H3/b23-8+
InChIKeyJORDZIGTCKDRSD-LIMNOBDPSA-N
XLogP5.89
TPSA86.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.15
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[(6-methyl-2-pyridinyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol
CID 5015995
4-[[3-(trifluoromethyl)phenyl]iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol
CID 4526247
2-(5-chloro-2-methoxyphenyl)-4-[(2,4-dibromophenyl)iminomethyl]-1,3-oxazol-5-ol
CID 4021538
4-[(2-bromo-4-methylphenyl)iminomethyl]-2-(3-methoxyphenyl)-1,3-oxazol-5-ol
CID 3307056
2-(5-chloro-2-methoxyphenyl)-4-[(2-chlorophenyl)iminomethyl]-1,3-oxazol-5-ol
CID 4642510
4-[(2-bromophenyl)iminomethyl]-2-(4-chlorophenyl)-1,3-oxazol-5-ol
CID 5201918
3-chloro-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 112572038
4-[(2-chlorophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol
CID 4247751
N-(2,4,5-trichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
CID 5165015
4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol
CID 135420907
4-[(3-chloro-4-fluorophenyl)iminomethyl]-2-(3-methoxyphenyl)-1,3-oxazol-5-ol
CID 3553107
2-chloro-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 82367352

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-4,5-dichlorophenyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol?
The IUPAC name of 4-[(2-bromo-4,5-dichlorophenyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol (CID 3664727) is 4-[(2-bromo-4,5-dichlorophenyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol.
What is the SMILES notation for 4-[(2-bromo-4,5-dichlorophenyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol?
The canonical SMILES for 4-[(2-bromo-4,5-dichlorophenyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol is COc1cc(-c2nc(/C=N/c3cc(Cl)c(Cl)cc3Br)c(O)o2)cc(OC)c1OC.
What is the InChIKey of 4-[(2-bromo-4,5-dichlorophenyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol?
The InChIKey is JORDZIGTCKDRSD-LIMNOBDPSA-N. The full InChI is InChI=1S/C19H15BrCl2N2O5/c1-26-15-4-9(5-16(27-2)17(15)28-3)18-24-14(19(25)29-18)8-23-13-7-12(22)11(21)6-10(13)20/h4-8,25H,1-3H3/b23-8+.
What are the key properties of 4-[(2-bromo-4,5-dichlorophenyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol?
4-[(2-bromo-4,5-dichlorophenyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol has a molecular weight of 502.15 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-4,5-dichlorophenyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol is sourced from PubChem (CID 3664727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).