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

C18H20N4O2S — CID 1086923

IUPAC5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)c2c(-c3ccccc3)noc2C)s1
InChIInChI=1S/C18H20N4O2S/c1-4-12(5-2)17-20-21-18(25-17)19-16(23)14-11(3)24-22-15(14)13-9-7-6-8-10-13/h6-10,12H,4-5H2,1-3H3,(H,19,21,23)
InChIKeyXKLKHTJAYJUSPC-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.66
Rot. Bonds6

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

5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 1086923) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID1086923
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)c2c(-c3ccccc3)noc2C)s1
InChIInChI=1S/C18H20N4O2S/c1-4-12(5-2)17-20-21-18(25-17)19-16(23)14-11(3)24-22-15(14)13-9-7-6-8-10-13/h6-10,12H,4-5H2,1-3H3,(H,19,21,23)
InChIKeyXKLKHTJAYJUSPC-UHFFFAOYSA-N
XLogP4.66
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide (CID 1086923) is 5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide is CCC(CC)c1nnc(NC(=O)c2c(-c3ccccc3)noc2C)s1.
What is the InChIKey of 5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is XKLKHTJAYJUSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-4-12(5-2)17-20-21-18(25-17)19-16(23)14-11(3)24-22-15(14)13-9-7-6-8-10-13/h6-10,12H,4-5H2,1-3H3,(H,19,21,23).
What are the key properties of 5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide?
5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1086923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).