benzamide;ethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate;tungsten

C23H19N3O4W2-2 — CID 159374531

IUPACbenzamide;ethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate;tungsten
SMILESCCOC(=O)c1cc(-c2coc(-c3c[c-]ccc3)n2)c[nH]1.NC(=O)c1c[c-]ccc1.[W].[W]
InChIInChI=1S/C16H13N2O3.C7H6NO.2W/c1-2-20-16(19)13-8-12(9-17-13)14-10-21-15(18-14)11-6-4-3-5-7-11;8-7(9)6-4-2-1-3-5-6;;/h3-4,6-10,17H,2H2,1H3;1-2,4-5H,(H2,8,9);;/q2*-1;;
InChIKeyBUKMDVSLLWXALA-UHFFFAOYSA-N
MW769.10 g/mol
LogP3.89
Rot. Bonds5

About benzamide;ethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate;tungsten

benzamide;ethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate;tungsten (PubChem CID 159374531) has the molecular formula C23H19N3O4W2-2 and a molecular weight of 769.10 g/mol. Its IUPAC name is benzamide;ethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate;tungsten.

Molecular Properties

Compound Namebenzamide;ethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate;tungsten
PubChem CID159374531
Molecular FormulaC23H19N3O4W2-2
Molecular Weight769.10 g/mol
Exact Mass769.04
IUPAC Namebenzamide;ethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate;tungsten
SMILESCCOC(=O)c1cc(-c2coc(-c3c[c-]ccc3)n2)c[nH]1.NC(=O)c1c[c-]ccc1.[W].[W]
InChIInChI=1S/C16H13N2O3.C7H6NO.2W/c1-2-20-16(19)13-8-12(9-17-13)14-10-21-15(18-14)11-6-4-3-5-7-11;8-7(9)6-4-2-1-3-5-6;;/h3-4,6-10,17H,2H2,1H3;1-2,4-5H,(H2,8,9);;/q2*-1;;
InChIKeyBUKMDVSLLWXALA-UHFFFAOYSA-N
XLogP3.89
TPSA111.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500769.10
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate
CID 159374532
ethyl 4-[3-amino-4-(3-aminophenyl)-1,2-oxazol-5-yl]-1H-pyrrole-2-carboxylate
CID 135418225
ethyl 4-(4-bromophenyl)-1H-pyrrole-2-carboxylate
CID 14643812
ethyl 3-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate
CID 51262315
ethyl 4-[5-(3-nitrophenyl)-2H-triazol-4-yl]-1H-pyrrole-2-carboxylate
CID 135482195
1-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanone
CID 115022186
ethyl 3-(6-oxo-1H-pyridin-3-yl)benzoate
CID 122358497
1-(4-chlorophenyl)-3-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 46377439
ethyl 4-(pyridine-2-carbonyl)-1H-pyrrole-2-carboxylate
CID 168911940
ethyl 4-bromo-1H-pyrrole-2-carboxylate
CID 5324607
ethyl 2-[4-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]-1,3-oxazole-4-carboxylate
CID 169343309
ethyl 2,6-diphenylpyrimidine-4-carboxylate
CID 15372800

Frequently Asked Questions

What is the IUPAC name of benzamide;ethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate;tungsten?
The IUPAC name of benzamide;ethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate;tungsten (CID 159374531) is benzamide;ethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate;tungsten.
What is the SMILES notation for benzamide;ethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate;tungsten?
The canonical SMILES for benzamide;ethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate;tungsten is CCOC(=O)c1cc(-c2coc(-c3c[c-]ccc3)n2)c[nH]1.NC(=O)c1c[c-]ccc1.[W].[W].
What is the InChIKey of benzamide;ethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate;tungsten?
The InChIKey is BUKMDVSLLWXALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N2O3.C7H6NO.2W/c1-2-20-16(19)13-8-12(9-17-13)14-10-21-15(18-14)11-6-4-3-5-7-11;8-7(9)6-4-2-1-3-5-6;;/h3-4,6-10,17H,2H2,1H3;1-2,4-5H,(H2,8,9);;/q2*-1;;.
What are the key properties of benzamide;ethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate;tungsten?
benzamide;ethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate;tungsten has a molecular weight of 769.10 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzamide;ethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate;tungsten is sourced from PubChem (CID 159374531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).