(E)-N-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-1-(3-nitrophenyl)methanimine

C17H12ClN3O4 — CID 42954870

IUPAC(E)-N-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-1-(3-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1cccc(/C=N/OCc2coc(-c3cccc(Cl)c3)n2)c1
InChIInChI=1S/C17H12ClN3O4/c18-14-5-2-4-13(8-14)17-20-15(10-24-17)11-25-19-9-12-3-1-6-16(7-12)21(22)23/h1-10H,11H2/b19-9+
InChIKeyYTWNRUOKTBOCNZ-DJKKODMXSA-N
MW357.75 g/mol
LogP4.45
Rot. Bonds6

About (E)-N-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-1-(3-nitrophenyl)methanimine

(E)-N-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-1-(3-nitrophenyl)methanimine (PubChem CID 42954870) has the molecular formula C17H12ClN3O4 and a molecular weight of 357.75 g/mol. Its IUPAC name is (E)-N-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-1-(3-nitrophenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-1-(3-nitrophenyl)methanimine
PubChem CID42954870
Molecular FormulaC17H12ClN3O4
Molecular Weight357.75 g/mol
Exact Mass357.05
IUPAC Name(E)-N-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-1-(3-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1cccc(/C=N/OCc2coc(-c3cccc(Cl)c3)n2)c1
InChIInChI=1S/C17H12ClN3O4/c18-14-5-2-4-13(8-14)17-20-15(10-24-17)11-25-19-9-12-3-1-6-16(7-12)21(22)23/h1-10H,11H2/b19-9+
InChIKeyYTWNRUOKTBOCNZ-DJKKODMXSA-N
XLogP4.45
TPSA90.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.75
LogP ≤ 54.45
H-Bond Donors ≤ 50
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'}

Analyze (E)-N-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-1-(3-nitrophenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-(3-nitrophenyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methoxy]methanimine
CID 16545567
2-(3-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 2806323
(E)-N-(1,3-benzodioxol-5-ylmethoxy)-1-(3-nitrophenyl)methanimine
CID 16545564
1-[4-[[(Z)-(3-nitrophenyl)methylideneamino]oxymethyl]phenyl]ethanone
CID 9172281
3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]aniline
CID 61035750
4-[(4-nitrophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 18171386
3-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]aniline
CID 9076615
3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]propan-1-amine
CID 115084368
ethyl 4-[[(3-nitrophenyl)methylideneamino]oxymethyl]benzoate
CID 71833883
methyl N-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]carbamate
CID 60522785
3,4-dichloro-N-[(3-nitrophenyl)methylideneamino]aniline
CID 78596754
4-[(4-chloro-2-nitrophenoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole
CID 38931160

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-1-(3-nitrophenyl)methanimine?
The IUPAC name of (E)-N-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-1-(3-nitrophenyl)methanimine (CID 42954870) is (E)-N-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-1-(3-nitrophenyl)methanimine.
What is the SMILES notation for (E)-N-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-1-(3-nitrophenyl)methanimine?
The canonical SMILES for (E)-N-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-1-(3-nitrophenyl)methanimine is O=[N+]([O-])c1cccc(/C=N/OCc2coc(-c3cccc(Cl)c3)n2)c1.
What is the InChIKey of (E)-N-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-1-(3-nitrophenyl)methanimine?
The InChIKey is YTWNRUOKTBOCNZ-DJKKODMXSA-N. The full InChI is InChI=1S/C17H12ClN3O4/c18-14-5-2-4-13(8-14)17-20-15(10-24-17)11-25-19-9-12-3-1-6-16(7-12)21(22)23/h1-10H,11H2/b19-9+.
What are the key properties of (E)-N-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-1-(3-nitrophenyl)methanimine?
(E)-N-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-1-(3-nitrophenyl)methanimine has a molecular weight of 357.75 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-1-(3-nitrophenyl)methanimine is sourced from PubChem (CID 42954870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).