[amino-(4-chlorophenyl)methylidene]-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]azanium

C18H13Cl3N3O2+ — CID 7037414

IUPAC[amino-(4-chlorophenyl)methylidene]-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]azanium
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)/[NH+]=C(\N)c1ccc(Cl)cc1
InChIInChI=1S/C18H12Cl3N3O2/c1-9-14(16(24-26-9)15-12(20)3-2-4-13(15)21)18(25)23-17(22)10-5-7-11(19)8-6-10/h2-8H,1H3,(H2,22,23,25)/p+1
InChIKeyWYMOMDUBODWRRF-UHFFFAOYSA-O
MW409.68 g/mol
LogP3.24
Rot. Bonds3

About [amino-(4-chlorophenyl)methylidene]-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]azanium

[amino-(4-chlorophenyl)methylidene]-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]azanium (PubChem CID 7037414) has the molecular formula C18H13Cl3N3O2+ and a molecular weight of 409.68 g/mol. Its IUPAC name is [amino-(4-chlorophenyl)methylidene]-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]azanium.

Molecular Properties

Compound Name[amino-(4-chlorophenyl)methylidene]-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]azanium
PubChem CID7037414
Molecular FormulaC18H13Cl3N3O2+
Molecular Weight409.68 g/mol
Exact Mass408.01
IUPAC Name[amino-(4-chlorophenyl)methylidene]-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]azanium
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)/[NH+]=C(\N)c1ccc(Cl)cc1
InChIInChI=1S/C18H12Cl3N3O2/c1-9-14(16(24-26-9)15-12(20)3-2-4-13(15)21)18(25)23-17(22)10-5-7-11(19)8-6-10/h2-8H,1H3,(H2,22,23,25)/p+1
InChIKeyWYMOMDUBODWRRF-UHFFFAOYSA-O
XLogP3.24
TPSA83.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.68
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze [amino-(4-chlorophenyl)methylidene]-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]azanium 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

[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone
CID 2805168
2-bromo-1-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone
CID 3251399
[[amino-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methylidene]amino] 2-chloroacetate
CID 2781697
3-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 986975
[(E)-[amino-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylidene]amino] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 6293797
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 60516631
3-(2-chloro-6-fluorophenyl)-N-methoxy-5-methyl-1,2-oxazole-4-carboxamide
CID 51279290
(4-chlorophenyl)-[2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-5-yl]methanone
CID 3303392
1-[3-(2-chloro-6-methylphenyl)-5-methyl-1,2-oxazol-4-yl]butan-1-one
CID 173416899
methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2775337
azepan-1-yl-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 1070129
[(Z)-[amino-(6-methyl-3-pyridinyl)methylidene]amino] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 177377247

Frequently Asked Questions

What is the IUPAC name of [amino-(4-chlorophenyl)methylidene]-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]azanium?
The IUPAC name of [amino-(4-chlorophenyl)methylidene]-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]azanium (CID 7037414) is [amino-(4-chlorophenyl)methylidene]-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]azanium.
What is the SMILES notation for [amino-(4-chlorophenyl)methylidene]-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]azanium?
The canonical SMILES for [amino-(4-chlorophenyl)methylidene]-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]azanium is Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)/[NH+]=C(\N)c1ccc(Cl)cc1.
What is the InChIKey of [amino-(4-chlorophenyl)methylidene]-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]azanium?
The InChIKey is WYMOMDUBODWRRF-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H12Cl3N3O2/c1-9-14(16(24-26-9)15-12(20)3-2-4-13(15)21)18(25)23-17(22)10-5-7-11(19)8-6-10/h2-8H,1H3,(H2,22,23,25)/p+1.
What are the key properties of [amino-(4-chlorophenyl)methylidene]-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]azanium?
[amino-(4-chlorophenyl)methylidene]-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]azanium has a molecular weight of 409.68 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(4-chlorophenyl)methylidene]-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]azanium is sourced from PubChem (CID 7037414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).