2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide

C24H23ClN6O3 — CID 67776272

IUPAC2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1cc(-c2nc(C(=O)NCCCn3ccnc3)c(-c3ccccc3Cl)o2)c(C)cn1
InChIInChI=1S/C24H23ClN6O3/c1-15-13-28-20(29-16(2)32)12-18(15)24-30-21(22(34-24)17-6-3-4-7-19(17)25)23(33)27-8-5-10-31-11-9-26-14-31/h3-4,6-7,9,11-14H,5,8,10H2,1-2H3,(H,27,33)(H,28,29,32)
InChIKeyAVYVBIAWGPQAAE-UHFFFAOYSA-N
MW478.94 g/mol
LogP4.34
Rot. Bonds8

About 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide

2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide (PubChem CID 67776272) has the molecular formula C24H23ClN6O3 and a molecular weight of 478.94 g/mol. Its IUPAC name is 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
PubChem CID67776272
Molecular FormulaC24H23ClN6O3
Molecular Weight478.94 g/mol
Exact Mass478.15
IUPAC Name2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1cc(-c2nc(C(=O)NCCCn3ccnc3)c(-c3ccccc3Cl)o2)c(C)cn1
InChIInChI=1S/C24H23ClN6O3/c1-15-13-28-20(29-16(2)32)12-18(15)24-30-21(22(34-24)17-6-3-4-7-19(17)25)23(33)27-8-5-10-31-11-9-26-14-31/h3-4,6-7,9,11-14H,5,8,10H2,1-2H3,(H,27,33)(H,28,29,32)
InChIKeyAVYVBIAWGPQAAE-UHFFFAOYSA-N
XLogP4.34
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.94
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide (CID 67776272) is 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide is CC(=O)Nc1cc(-c2nc(C(=O)NCCCn3ccnc3)c(-c3ccccc3Cl)o2)c(C)cn1.
What is the InChIKey of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide?
The InChIKey is AVYVBIAWGPQAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O3/c1-15-13-28-20(29-16(2)32)12-18(15)24-30-21(22(34-24)17-6-3-4-7-19(17)25)23(33)27-8-5-10-31-11-9-26-14-31/h3-4,6-7,9,11-14H,5,8,10H2,1-2H3,(H,27,33)(H,28,29,32).
What are the key properties of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide?
2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide has a molecular weight of 478.94 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 67776272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).