3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carboxylic acid

C8H7N3O3S — CID 2776526

IUPAC3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carboxylic acid
SMILESCc1nnsc1-c1onc(C)c1C(=O)O
InChIInChI=1S/C8H7N3O3S/c1-3-5(8(12)13)6(14-10-3)7-4(2)9-11-15-7/h1-2H3,(H,12,13)
InChIKeyFEZZINWSOIDPDN-UHFFFAOYSA-N
MW225.23 g/mol
LogP1.51
Rot. Bonds2

About 3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carboxylic acid

3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carboxylic acid (PubChem CID 2776526) has the molecular formula C8H7N3O3S and a molecular weight of 225.23 g/mol. Its IUPAC name is 3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carboxylic acid
PubChem CID2776526
Molecular FormulaC8H7N3O3S
Molecular Weight225.23 g/mol
Exact Mass225.02
IUPAC Name3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carboxylic acid
SMILESCc1nnsc1-c1onc(C)c1C(=O)O
InChIInChI=1S/C8H7N3O3S/c1-3-5(8(12)13)6(14-10-3)7-4(2)9-11-15-7/h1-2H3,(H,12,13)
InChIKeyFEZZINWSOIDPDN-UHFFFAOYSA-N
XLogP1.51
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carboxylic acid (CID 2776526) is 3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carboxylic acid is Cc1nnsc1-c1onc(C)c1C(=O)O.
What is the InChIKey of 3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is FEZZINWSOIDPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3S/c1-3-5(8(12)13)6(14-10-3)7-4(2)9-11-15-7/h1-2H3,(H,12,13).
What are the key properties of 3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carboxylic acid?
3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 225.23 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 2776526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).