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

C15H14N4O2S — CID 1091324

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCc1nnc(NC(=O)c2c(-c3ccccc3)noc2C)s1
InChIInChI=1S/C15H14N4O2S/c1-3-11-17-18-15(22-11)16-14(20)12-9(2)21-19-13(12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,16,18,20)
InChIKeyOQTVBJCGVGXHFN-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.32
Rot. Bonds4

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 1091324) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID1091324
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCc1nnc(NC(=O)c2c(-c3ccccc3)noc2C)s1
InChIInChI=1S/C15H14N4O2S/c1-3-11-17-18-15(22-11)16-14(20)12-9(2)21-19-13(12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,16,18,20)
InChIKeyOQTVBJCGVGXHFN-UHFFFAOYSA-N
XLogP3.32
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 1091324) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is CCc1nnc(NC(=O)c2c(-c3ccccc3)noc2C)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is OQTVBJCGVGXHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-3-11-17-18-15(22-11)16-14(20)12-9(2)21-19-13(12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,16,18,20).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1091324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).