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

C11H14N4O2S — CID 31039113

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCCCCc1nnc(NC(=O)c2cc(C)no2)s1
InChIInChI=1S/C11H14N4O2S/c1-3-4-5-9-13-14-11(18-9)12-10(16)8-6-7(2)15-17-8/h6H,3-5H2,1-2H3,(H,12,14,16)
InChIKeyXZPUWFQQGVKQJK-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.43
Rot. Bonds5

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

N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 31039113) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID31039113
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCCCCc1nnc(NC(=O)c2cc(C)no2)s1
InChIInChI=1S/C11H14N4O2S/c1-3-4-5-9-13-14-11(18-9)12-10(16)8-6-7(2)15-17-8/h6H,3-5H2,1-2H3,(H,12,14,16)
InChIKeyXZPUWFQQGVKQJK-UHFFFAOYSA-N
XLogP2.43
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide (CID 31039113) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide is CCCCc1nnc(NC(=O)c2cc(C)no2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is XZPUWFQQGVKQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-3-4-5-9-13-14-11(18-9)12-10(16)8-6-7(2)15-17-8/h6H,3-5H2,1-2H3,(H,12,14,16).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 266.33 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 31039113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).