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

C23H19ClN4O4 — CID 67952853

IUPAC2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1cc(-c2nc(C(=O)NCc3ccco3)c(-c3ccccc3Cl)o2)c(C)cn1
InChIInChI=1S/C23H19ClN4O4/c1-13-11-25-19(27-14(2)29)10-17(13)23-28-20(22(30)26-12-15-6-5-9-31-15)21(32-23)16-7-3-4-8-18(16)24/h3-11H,12H2,1-2H3,(H,26,30)(H,25,27,29)
InChIKeySAHOESUKVQDQLQ-UHFFFAOYSA-N
MW450.88 g/mol
LogP4.85
Rot. Bonds6

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

2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 67952853) has the molecular formula C23H19ClN4O4 and a molecular weight of 450.88 g/mol. Its IUPAC name is 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID67952853
Molecular FormulaC23H19ClN4O4
Molecular Weight450.88 g/mol
Exact Mass450.11
IUPAC Name2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1cc(-c2nc(C(=O)NCc3ccco3)c(-c3ccccc3Cl)o2)c(C)cn1
InChIInChI=1S/C23H19ClN4O4/c1-13-11-25-19(27-14(2)29)10-17(13)23-28-20(22(30)26-12-15-6-5-9-31-15)21(32-23)16-7-3-4-8-18(16)24/h3-11H,12H2,1-2H3,(H,26,30)(H,25,27,29)
InChIKeySAHOESUKVQDQLQ-UHFFFAOYSA-N
XLogP4.85
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.88
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide (CID 67952853) is 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide is CC(=O)Nc1cc(-c2nc(C(=O)NCc3ccco3)c(-c3ccccc3Cl)o2)c(C)cn1.
What is the InChIKey of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is SAHOESUKVQDQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O4/c1-13-11-25-19(27-14(2)29)10-17(13)23-28-20(22(30)26-12-15-6-5-9-31-15)21(32-23)16-7-3-4-8-18(16)24/h3-11H,12H2,1-2H3,(H,26,30)(H,25,27,29).
What are the key properties of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 450.88 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 67952853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).