2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide

C24H20ClN5O3 — CID 169075504

IUPAC2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(-n2cccc2)cc1)c1coc(N2CCN(Cc3cccc(Cl)c3)C2=O)n1
InChIInChI=1S/C24H20ClN5O3/c25-18-5-3-4-17(14-18)15-29-12-13-30(24(29)32)23-27-21(16-33-23)22(31)26-19-6-8-20(9-7-19)28-10-1-2-11-28/h1-11,14,16H,12-13,15H2,(H,26,31)
InChIKeyFNKOBIUEZIBPEQ-UHFFFAOYSA-N
MW461.91 g/mol
LogP4.81
Rot. Bonds6

About 2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide

2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 169075504) has the molecular formula C24H20ClN5O3 and a molecular weight of 461.91 g/mol. Its IUPAC name is 2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID169075504
Molecular FormulaC24H20ClN5O3
Molecular Weight461.91 g/mol
Exact Mass461.13
IUPAC Name2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(-n2cccc2)cc1)c1coc(N2CCN(Cc3cccc(Cl)c3)C2=O)n1
InChIInChI=1S/C24H20ClN5O3/c25-18-5-3-4-17(14-18)15-29-12-13-30(24(29)32)23-27-21(16-33-23)22(31)26-19-6-8-20(9-7-19)28-10-1-2-11-28/h1-11,14,16H,12-13,15H2,(H,26,31)
InChIKeyFNKOBIUEZIBPEQ-UHFFFAOYSA-N
XLogP4.81
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.91
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide (CID 169075504) is 2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide is O=C(Nc1ccc(-n2cccc2)cc1)c1coc(N2CCN(Cc3cccc(Cl)c3)C2=O)n1.
What is the InChIKey of 2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is FNKOBIUEZIBPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O3/c25-18-5-3-4-17(14-18)15-29-12-13-30(24(29)32)23-27-21(16-33-23)22(31)26-19-6-8-20(9-7-19)28-10-1-2-11-28/h1-11,14,16H,12-13,15H2,(H,26,31).
What are the key properties of 2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide?
2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 461.91 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 169075504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).