2-[2-(6-methylsulfanyl-3-pyridinyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid

C15H12N2O3S2 — CID 67547216

IUPAC2-[2-(6-methylsulfanyl-3-pyridinyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid
SMILESCSc1ccc(-c2nc(CC(=O)O)c(-c3ccsc3)o2)cn1
InChIInChI=1S/C15H12N2O3S2/c1-21-12-3-2-9(7-16-12)15-17-11(6-13(18)19)14(20-15)10-4-5-22-8-10/h2-5,7-8H,6H2,1H3,(H,18,19)
InChIKeyKLZOQYMVKNBRIZ-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.81
Rot. Bonds5

About 2-[2-(6-methylsulfanyl-3-pyridinyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid

2-[2-(6-methylsulfanyl-3-pyridinyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid (PubChem CID 67547216) has the molecular formula C15H12N2O3S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[2-(6-methylsulfanyl-3-pyridinyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(6-methylsulfanyl-3-pyridinyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid
PubChem CID67547216
Molecular FormulaC15H12N2O3S2
Molecular Weight332.41 g/mol
Exact Mass332.03
IUPAC Name2-[2-(6-methylsulfanyl-3-pyridinyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid
SMILESCSc1ccc(-c2nc(CC(=O)O)c(-c3ccsc3)o2)cn1
InChIInChI=1S/C15H12N2O3S2/c1-21-12-3-2-9(7-16-12)15-17-11(6-13(18)19)14(20-15)10-4-5-22-8-10/h2-5,7-8H,6H2,1H3,(H,18,19)
InChIKeyKLZOQYMVKNBRIZ-UHFFFAOYSA-N
XLogP3.81
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{4-phenyl-2-[5-(thiophen-3-yl)pyridin-3-yl]-1,3-oxazol-5-yl}acetamide
CID 5329355
4-Oxazoleacetic acid, 2-(p-fluorophenyl)-5-(3-thienyl)-
CID 3069787
2-[2-Phenyl-5-(3-thienyl)-4-oxazolyl]acetic acid
CID 13105439
2-[2-(4-Methylphenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid
CID 13583353
2-(2-Phenyl-5-thiophen-2-yl-1,3-oxazol-4-yl)acetic acid
CID 13583350
Pyridin-3-ylmethyl 2-[2-(4-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate
CID 13583368
2-[2-(4-Fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]ethyl pyridine-3-carboxylate
CID 13583384
[2-(4-Fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]methyl pyridine-3-carboxylate
CID 13583387
4-(4-Fluorophenyl)-2-(4-methylthiophen-2-yl)-5-pyridin-4-yl-1,3-oxazole
CID 17852493
(1Z)-2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-pyridin-3-ylsulfonylethanimidate
CID 59384885
2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-pyridin-3-ylsulfonylethanimidate
CID 72283475
(5-Methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
CID 16611769

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methylsulfanyl-3-pyridinyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(6-methylsulfanyl-3-pyridinyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid (CID 67547216) is 2-[2-(6-methylsulfanyl-3-pyridinyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(6-methylsulfanyl-3-pyridinyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(6-methylsulfanyl-3-pyridinyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid is CSc1ccc(-c2nc(CC(=O)O)c(-c3ccsc3)o2)cn1.
What is the InChIKey of 2-[2-(6-methylsulfanyl-3-pyridinyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid?
The InChIKey is KLZOQYMVKNBRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S2/c1-21-12-3-2-9(7-16-12)15-17-11(6-13(18)19)14(20-15)10-4-5-22-8-10/h2-5,7-8H,6H2,1H3,(H,18,19).
What are the key properties of 2-[2-(6-methylsulfanyl-3-pyridinyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid?
2-[2-(6-methylsulfanyl-3-pyridinyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid has a molecular weight of 332.41 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methylsulfanyl-3-pyridinyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid is sourced from PubChem (CID 67547216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).