3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid

C10H8N2O3S — CID 106926135

IUPAC3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1CSc1ncco1
InChIInChI=1S/C10H8N2O3S/c13-9(14)8-7(2-1-3-11-8)6-16-10-12-4-5-15-10/h1-5H,6H2,(H,13,14)
InChIKeySJANHAOHIIFWCJ-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.06
Rot. Bonds4

About 3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid

3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid (PubChem CID 106926135) has the molecular formula C10H8N2O3S and a molecular weight of 236.25 g/mol. Its IUPAC name is 3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid
PubChem CID106926135
Molecular FormulaC10H8N2O3S
Molecular Weight236.25 g/mol
Exact Mass236.03
IUPAC Name3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1CSc1ncco1
InChIInChI=1S/C10H8N2O3S/c13-9(14)8-7(2-1-3-11-8)6-16-10-12-4-5-15-10/h1-5H,6H2,(H,13,14)
InChIKeySJANHAOHIIFWCJ-UHFFFAOYSA-N
XLogP2.06
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-3-(1,3-oxazol-2-ylsulfanylmethyl)benzoic acid
CID 107119917
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridine-2-carboxylic acid
CID 106926190
3-(pyrazin-2-ylsulfanylmethyl)pyridine-2-carboxylic acid
CID 63381907
3-(furan-2-ylmethylsulfanylmethyl)pyridine-2-carboxylic acid
CID 55182251
3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid
CID 63099626
2-nitro-6-(1,3-oxazol-2-ylsulfanylmethyl)benzoic acid
CID 106920733
3-(thiophen-2-ylsulfanylmethyl)pyridine-2-carboxylic acid
CID 63098916
5-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)benzoic acid
CID 106926129
2-(1,3-oxazol-2-ylsulfanylmethyl)furan-3-carboxylic acid
CID 106920681
3-[(2,5-difluorophenyl)sulfanylmethyl]pyridine-2-carboxylic acid
CID 63099818
3-(oxetan-3-ylsulfanylmethyl)pyridine-2-carboxylic acid
CID 79327023
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)pyridine-2-carboxylic acid
CID 115479221

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid (CID 106926135) is 3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid is O=C(O)c1ncccc1CSc1ncco1.
What is the InChIKey of 3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid?
The InChIKey is SJANHAOHIIFWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3S/c13-9(14)8-7(2-1-3-11-8)6-16-10-12-4-5-15-10/h1-5H,6H2,(H,13,14).
What are the key properties of 3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid?
3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid has a molecular weight of 236.25 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 106926135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).