5-methyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide

C13H10N4O2S — CID 896871

IUPAC5-methyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1nncs1
InChIInChI=1S/C13H10N4O2S/c1-8-10(12(18)15-13-16-14-7-20-13)11(17-19-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,15,16,18)
InChIKeyNGQQPJRLRNJURZ-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.75
Rot. Bonds3

About 5-methyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide

5-methyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide (PubChem CID 896871) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 5-methyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide
PubChem CID896871
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC Name5-methyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1nncs1
InChIInChI=1S/C13H10N4O2S/c1-8-10(12(18)15-13-16-14-7-20-13)11(17-19-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,15,16,18)
InChIKeyNGQQPJRLRNJURZ-UHFFFAOYSA-N
XLogP2.75
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide (CID 896871) is 5-methyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1nncs1.
What is the InChIKey of 5-methyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is NGQQPJRLRNJURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c1-8-10(12(18)15-13-16-14-7-20-13)11(17-19-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,15,16,18).
What are the key properties of 5-methyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide?
5-methyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 286.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 896871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).