2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid

C12H11N3O4S — CID 1174569

IUPAC2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
SMILESCc1cc(NC(=O)CSc2ncccc2C(=O)O)no1
InChIInChI=1S/C12H11N3O4S/c1-7-5-9(15-19-7)14-10(16)6-20-11-8(12(17)18)3-2-4-13-11/h2-5H,6H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyHTVGDFKJXWTNPU-UHFFFAOYSA-N
MW293.30 g/mol
LogP1.81
Rot. Bonds5

About 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid

2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid (PubChem CID 1174569) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
PubChem CID1174569
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Name2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
SMILESCc1cc(NC(=O)CSc2ncccc2C(=O)O)no1
InChIInChI=1S/C12H11N3O4S/c1-7-5-9(15-19-7)14-10(16)6-20-11-8(12(17)18)3-2-4-13-11/h2-5H,6H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyHTVGDFKJXWTNPU-UHFFFAOYSA-N
XLogP1.81
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid?
The IUPAC name of 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid (CID 1174569) is 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid is Cc1cc(NC(=O)CSc2ncccc2C(=O)O)no1.
What is the InChIKey of 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid?
The InChIKey is HTVGDFKJXWTNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c1-7-5-9(15-19-7)14-10(16)6-20-11-8(12(17)18)3-2-4-13-11/h2-5H,6H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid?
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid has a molecular weight of 293.30 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid is sourced from PubChem (CID 1174569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).