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

C12H16N4O2S — CID 43031300

IUPAC3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)c2cc(C)no2)s1
InChIInChI=1S/C12H16N4O2S/c1-4-8(5-2)11-14-15-12(19-11)13-10(17)9-6-7(3)16-18-9/h6,8H,4-5H2,1-3H3,(H,13,15,17)
InChIKeyWAHMGFGOMZCYBF-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.99
Rot. Bonds5

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

3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide (PubChem CID 43031300) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide
PubChem CID43031300
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)c2cc(C)no2)s1
InChIInChI=1S/C12H16N4O2S/c1-4-8(5-2)11-14-15-12(19-11)13-10(17)9-6-7(3)16-18-9/h6,8H,4-5H2,1-3H3,(H,13,15,17)
InChIKeyWAHMGFGOMZCYBF-UHFFFAOYSA-N
XLogP2.99
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide (CID 43031300) is 3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide is CCC(CC)c1nnc(NC(=O)c2cc(C)no2)s1.
What is the InChIKey of 3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is WAHMGFGOMZCYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-4-8(5-2)11-14-15-12(19-11)13-10(17)9-6-7(3)16-18-9/h6,8H,4-5H2,1-3H3,(H,13,15,17).
What are the key properties of 3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide?
3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 43031300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).