2-(5-chloro-2-methoxyphenyl)-4-[(2,4-dibromophenyl)iminomethyl]-1,3-oxazol-5-ol

C17H11Br2ClN2O3 — CID 4021538

IUPAC2-(5-chloro-2-methoxyphenyl)-4-[(2,4-dibromophenyl)iminomethyl]-1,3-oxazol-5-ol
SMILESCOc1ccc(Cl)cc1-c1nc(/C=N/c2ccc(Br)cc2Br)c(O)o1
InChIInChI=1S/C17H11Br2ClN2O3/c1-24-15-5-3-10(20)7-11(15)16-22-14(17(23)25-16)8-21-13-4-2-9(18)6-12(13)19/h2-8,23H,1H3/b21-8+
InChIKeyAVIXCAYAPCUBBC-ODCIPOBUSA-N
MW486.55 g/mol
LogP5.98
Rot. Bonds4

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

2-(5-chloro-2-methoxyphenyl)-4-[(2,4-dibromophenyl)iminomethyl]-1,3-oxazol-5-ol (PubChem CID 4021538) has the molecular formula C17H11Br2ClN2O3 and a molecular weight of 486.55 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-4-[(2,4-dibromophenyl)iminomethyl]-1,3-oxazol-5-ol.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-4-[(2,4-dibromophenyl)iminomethyl]-1,3-oxazol-5-ol
PubChem CID4021538
Molecular FormulaC17H11Br2ClN2O3
Molecular Weight486.55 g/mol
Exact Mass483.88
IUPAC Name2-(5-chloro-2-methoxyphenyl)-4-[(2,4-dibromophenyl)iminomethyl]-1,3-oxazol-5-ol
SMILESCOc1ccc(Cl)cc1-c1nc(/C=N/c2ccc(Br)cc2Br)c(O)o1
InChIInChI=1S/C17H11Br2ClN2O3/c1-24-15-5-3-10(20)7-11(15)16-22-14(17(23)25-16)8-21-13-4-2-9(18)6-12(13)19/h2-8,23H,1H3/b21-8+
InChIKeyAVIXCAYAPCUBBC-ODCIPOBUSA-N
XLogP5.98
TPSA67.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.55
LogP ≤ 55.98
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

2-(5-chloro-2-methoxyphenyl)-4-[(2-chlorophenyl)iminomethyl]-1,3-oxazol-5-ol
CID 4642510
2-(5-chloro-2-methoxyphenyl)-4-[(3-methyl-2-pyridinyl)iminomethyl]-1,3-oxazol-5-ol
CID 3893249
4-(1,3-benzothiazol-2-yliminomethyl)-2-(5-chloro-2-methoxyphenyl)-1,3-oxazol-5-ol
CID 5193579
4-[(2-bromo-4,5-dichlorophenyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol
CID 3664727
4-[(2-bromophenyl)iminomethyl]-2-(4-chlorophenyl)-1,3-oxazol-5-ol
CID 5201918
4-[(2-bromo-4-methylphenyl)iminomethyl]-2-(3-methoxyphenyl)-1,3-oxazol-5-ol
CID 3307056
5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-benzoxazol-7-amine
CID 104728788
5-bromo-2-[[2-(4-bromophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoic acid
CID 4306298
2-(5-bromo-2-methoxyphenyl)-4,5-dimethyl-1,3-oxazole
CID 82489419
2-bromo-5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole
CID 114771081
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-5-chloro-2-hydroxybenzamide
CID 6113383
4-[(2-chlorophenyl)iminomethyl]-2-(2-fluorophenyl)-1,3-oxazol-5-ol
CID 4011439

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-4-[(2,4-dibromophenyl)iminomethyl]-1,3-oxazol-5-ol?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-4-[(2,4-dibromophenyl)iminomethyl]-1,3-oxazol-5-ol (CID 4021538) is 2-(5-chloro-2-methoxyphenyl)-4-[(2,4-dibromophenyl)iminomethyl]-1,3-oxazol-5-ol.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-4-[(2,4-dibromophenyl)iminomethyl]-1,3-oxazol-5-ol?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-4-[(2,4-dibromophenyl)iminomethyl]-1,3-oxazol-5-ol is COc1ccc(Cl)cc1-c1nc(/C=N/c2ccc(Br)cc2Br)c(O)o1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-4-[(2,4-dibromophenyl)iminomethyl]-1,3-oxazol-5-ol?
The InChIKey is AVIXCAYAPCUBBC-ODCIPOBUSA-N. The full InChI is InChI=1S/C17H11Br2ClN2O3/c1-24-15-5-3-10(20)7-11(15)16-22-14(17(23)25-16)8-21-13-4-2-9(18)6-12(13)19/h2-8,23H,1H3/b21-8+.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-4-[(2,4-dibromophenyl)iminomethyl]-1,3-oxazol-5-ol?
2-(5-chloro-2-methoxyphenyl)-4-[(2,4-dibromophenyl)iminomethyl]-1,3-oxazol-5-ol has a molecular weight of 486.55 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-4-[(2,4-dibromophenyl)iminomethyl]-1,3-oxazol-5-ol is sourced from PubChem (CID 4021538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).