2-(5-acetamido-2-methyl-3-pyridinyl)-4-(2-chlorophenyl)-1,3-oxazole-5-carboxylic acid

C18H14ClN3O4 — CID 67952371

IUPAC2-(5-acetamido-2-methyl-3-pyridinyl)-4-(2-chlorophenyl)-1,3-oxazole-5-carboxylic acid
SMILESCC(=O)Nc1cnc(C)c(-c2nc(-c3ccccc3Cl)c(C(=O)O)o2)c1
InChIInChI=1S/C18H14ClN3O4/c1-9-13(7-11(8-20-9)21-10(2)23)17-22-15(16(26-17)18(24)25)12-5-3-4-6-14(12)19/h3-8H,1-2H3,(H,21,23)(H,24,25)
InChIKeyCTFVATPCCDGAJS-UHFFFAOYSA-N
MW371.78 g/mol
LogP4.02
Rot. Bonds4

About 2-(5-acetamido-2-methyl-3-pyridinyl)-4-(2-chlorophenyl)-1,3-oxazole-5-carboxylic acid

2-(5-acetamido-2-methyl-3-pyridinyl)-4-(2-chlorophenyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 67952371) has the molecular formula C18H14ClN3O4 and a molecular weight of 371.78 g/mol. Its IUPAC name is 2-(5-acetamido-2-methyl-3-pyridinyl)-4-(2-chlorophenyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-acetamido-2-methyl-3-pyridinyl)-4-(2-chlorophenyl)-1,3-oxazole-5-carboxylic acid
PubChem CID67952371
Molecular FormulaC18H14ClN3O4
Molecular Weight371.78 g/mol
Exact Mass371.07
IUPAC Name2-(5-acetamido-2-methyl-3-pyridinyl)-4-(2-chlorophenyl)-1,3-oxazole-5-carboxylic acid
SMILESCC(=O)Nc1cnc(C)c(-c2nc(-c3ccccc3Cl)c(C(=O)O)o2)c1
InChIInChI=1S/C18H14ClN3O4/c1-9-13(7-11(8-20-9)21-10(2)23)17-22-15(16(26-17)18(24)25)12-5-3-4-6-14(12)19/h3-8H,1-2H3,(H,21,23)(H,24,25)
InChIKeyCTFVATPCCDGAJS-UHFFFAOYSA-N
XLogP4.02
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamido-2-methyl-3-pyridinyl)-4-(2-chlorophenyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(5-acetamido-2-methyl-3-pyridinyl)-4-(2-chlorophenyl)-1,3-oxazole-5-carboxylic acid (CID 67952371) is 2-(5-acetamido-2-methyl-3-pyridinyl)-4-(2-chlorophenyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(5-acetamido-2-methyl-3-pyridinyl)-4-(2-chlorophenyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(5-acetamido-2-methyl-3-pyridinyl)-4-(2-chlorophenyl)-1,3-oxazole-5-carboxylic acid is CC(=O)Nc1cnc(C)c(-c2nc(-c3ccccc3Cl)c(C(=O)O)o2)c1.
What is the InChIKey of 2-(5-acetamido-2-methyl-3-pyridinyl)-4-(2-chlorophenyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is CTFVATPCCDGAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O4/c1-9-13(7-11(8-20-9)21-10(2)23)17-22-15(16(26-17)18(24)25)12-5-3-4-6-14(12)19/h3-8H,1-2H3,(H,21,23)(H,24,25).
What are the key properties of 2-(5-acetamido-2-methyl-3-pyridinyl)-4-(2-chlorophenyl)-1,3-oxazole-5-carboxylic acid?
2-(5-acetamido-2-methyl-3-pyridinyl)-4-(2-chlorophenyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 371.78 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetamido-2-methyl-3-pyridinyl)-4-(2-chlorophenyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 67952371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).