4-[(4-bromophenyl)iminomethyl]-2-(4-nitrophenyl)-1,3-oxazol-5-ol

C16H10BrN3O4 — CID 5006778

IUPAC4-[(4-bromophenyl)iminomethyl]-2-(4-nitrophenyl)-1,3-oxazol-5-ol
SMILESO=[N+]([O-])c1ccc(-c2nc(/C=N/c3ccc(Br)cc3)c(O)o2)cc1
InChIInChI=1S/C16H10BrN3O4/c17-11-3-5-12(6-4-11)18-9-14-16(21)24-15(19-14)10-1-7-13(8-2-10)20(22)23/h1-9,21H/b18-9+
InChIKeyFDOWZZGLQCCNOI-GIJQJNRQSA-N
MW388.18 g/mol
LogP4.47
Rot. Bonds4

About 4-[(4-bromophenyl)iminomethyl]-2-(4-nitrophenyl)-1,3-oxazol-5-ol

4-[(4-bromophenyl)iminomethyl]-2-(4-nitrophenyl)-1,3-oxazol-5-ol (PubChem CID 5006778) has the molecular formula C16H10BrN3O4 and a molecular weight of 388.18 g/mol. Its IUPAC name is 4-[(4-bromophenyl)iminomethyl]-2-(4-nitrophenyl)-1,3-oxazol-5-ol.

Molecular Properties

Compound Name4-[(4-bromophenyl)iminomethyl]-2-(4-nitrophenyl)-1,3-oxazol-5-ol
PubChem CID5006778
Molecular FormulaC16H10BrN3O4
Molecular Weight388.18 g/mol
Exact Mass386.99
IUPAC Name4-[(4-bromophenyl)iminomethyl]-2-(4-nitrophenyl)-1,3-oxazol-5-ol
SMILESO=[N+]([O-])c1ccc(-c2nc(/C=N/c3ccc(Br)cc3)c(O)o2)cc1
InChIInChI=1S/C16H10BrN3O4/c17-11-3-5-12(6-4-11)18-9-14-16(21)24-15(19-14)10-1-7-13(8-2-10)20(22)23/h1-9,21H/b18-9+
InChIKeyFDOWZZGLQCCNOI-GIJQJNRQSA-N
XLogP4.47
TPSA101.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.18
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-[[5-hydroxy-2-(4-nitrophenyl)-1,3-oxazol-4-yl]methylideneamino]phenyl]ethanone
CID 4109891
2-(4-bromophenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol
CID 4022557
4-[(2-iodophenyl)iminomethyl]-2-(4-nitrophenyl)-1,3-oxazol-5-ol
CID 4526242
5-bromo-2-[[2-(4-bromophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoic acid
CID 4306298
2-(4-bromophenyl)-4-[(E)-pyrimidin-2-yliminomethyl]-1,3-oxazol-5-ol
CID 135684440
4-[(4-methylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 571303
4-[(4-iodophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol
CID 5016002
2-(4-bromophenyl)-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol
CID 135614191
4-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoic acid
CID 4277075
N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(4-nitrophenyl)methanimine
CID 155545055
2-phenyl-4-[(4-sulfanylphenyl)iminomethyl]-1,3-oxazol-5-ol
CID 137235106
2-[4-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]phenyl]acetonitrile
CID 5009065

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)iminomethyl]-2-(4-nitrophenyl)-1,3-oxazol-5-ol?
The IUPAC name of 4-[(4-bromophenyl)iminomethyl]-2-(4-nitrophenyl)-1,3-oxazol-5-ol (CID 5006778) is 4-[(4-bromophenyl)iminomethyl]-2-(4-nitrophenyl)-1,3-oxazol-5-ol.
What is the SMILES notation for 4-[(4-bromophenyl)iminomethyl]-2-(4-nitrophenyl)-1,3-oxazol-5-ol?
The canonical SMILES for 4-[(4-bromophenyl)iminomethyl]-2-(4-nitrophenyl)-1,3-oxazol-5-ol is O=[N+]([O-])c1ccc(-c2nc(/C=N/c3ccc(Br)cc3)c(O)o2)cc1.
What is the InChIKey of 4-[(4-bromophenyl)iminomethyl]-2-(4-nitrophenyl)-1,3-oxazol-5-ol?
The InChIKey is FDOWZZGLQCCNOI-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H10BrN3O4/c17-11-3-5-12(6-4-11)18-9-14-16(21)24-15(19-14)10-1-7-13(8-2-10)20(22)23/h1-9,21H/b18-9+.
What are the key properties of 4-[(4-bromophenyl)iminomethyl]-2-(4-nitrophenyl)-1,3-oxazol-5-ol?
4-[(4-bromophenyl)iminomethyl]-2-(4-nitrophenyl)-1,3-oxazol-5-ol has a molecular weight of 388.18 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)iminomethyl]-2-(4-nitrophenyl)-1,3-oxazol-5-ol is sourced from PubChem (CID 5006778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).