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

C23H21ClN6O3 — CID 67775949

IUPAC2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1cc(-c2nc(C(=O)NCCn3ccnc3)c(-c3ccccc3Cl)o2)c(C)cn1
InChIInChI=1S/C23H21ClN6O3/c1-14-12-27-19(28-15(2)31)11-17(14)23-29-20(21(33-23)16-5-3-4-6-18(16)24)22(32)26-8-10-30-9-7-25-13-30/h3-7,9,11-13H,8,10H2,1-2H3,(H,26,32)(H,27,28,31)
InChIKeyHTRZYKTYNVZGOJ-UHFFFAOYSA-N
MW464.91 g/mol
LogP3.95
Rot. Bonds7

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

2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 67775949) has the molecular formula C23H21ClN6O3 and a molecular weight of 464.91 g/mol. Its IUPAC name is 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-1,3-oxazole-4-carboxamide
PubChem CID67775949
Molecular FormulaC23H21ClN6O3
Molecular Weight464.91 g/mol
Exact Mass464.14
IUPAC Name2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1cc(-c2nc(C(=O)NCCn3ccnc3)c(-c3ccccc3Cl)o2)c(C)cn1
InChIInChI=1S/C23H21ClN6O3/c1-14-12-27-19(28-15(2)31)11-17(14)23-29-20(21(33-23)16-5-3-4-6-18(16)24)22(32)26-8-10-30-9-7-25-13-30/h3-7,9,11-13H,8,10H2,1-2H3,(H,26,32)(H,27,28,31)
InChIKeyHTRZYKTYNVZGOJ-UHFFFAOYSA-N
XLogP3.95
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.91
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-1,3-oxazole-4-carboxamide (CID 67775949) is 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-1,3-oxazole-4-carboxamide is CC(=O)Nc1cc(-c2nc(C(=O)NCCn3ccnc3)c(-c3ccccc3Cl)o2)c(C)cn1.
What is the InChIKey of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is HTRZYKTYNVZGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O3/c1-14-12-27-19(28-15(2)31)11-17(14)23-29-20(21(33-23)16-5-3-4-6-18(16)24)22(32)26-8-10-30-9-7-25-13-30/h3-7,9,11-13H,8,10H2,1-2H3,(H,26,32)(H,27,28,31).
What are the key properties of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-1,3-oxazole-4-carboxamide?
2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 464.91 g/mol, XLogP of 3.95, 7 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-(2-imidazol-1-ylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 67775949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).