2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid

C11H10N2O3S — CID 4962531

IUPAC2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid
SMILESCc1cc(CSc2ncccc2C(=O)O)no1
InChIInChI=1S/C11H10N2O3S/c1-7-5-8(13-16-7)6-17-10-9(11(14)15)3-2-4-12-10/h2-5H,6H2,1H3,(H,14,15)
InChIKeyBKCSWMINXLOCCL-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.37
Rot. Bonds4

About 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid (PubChem CID 4962531) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid
PubChem CID4962531
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid
SMILESCc1cc(CSc2ncccc2C(=O)O)no1
InChIInChI=1S/C11H10N2O3S/c1-7-5-8(13-16-7)6-17-10-9(11(14)15)3-2-4-12-10/h2-5H,6H2,1H3,(H,14,15)
InChIKeyBKCSWMINXLOCCL-UHFFFAOYSA-N
XLogP2.37
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid (CID 4962531) is 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid is Cc1cc(CSc2ncccc2C(=O)O)no1.
What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid?
The InChIKey is BKCSWMINXLOCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-7-5-8(13-16-7)6-17-10-9(11(14)15)3-2-4-12-10/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid?
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid has a molecular weight of 250.28 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 4962531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).