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

C16H16N4O2S — CID 51261982

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCCCCc1nnc(NC(=O)c2cc(-c3ccccc3)on2)s1
InChIInChI=1S/C16H16N4O2S/c1-2-3-9-14-18-19-16(23-14)17-15(21)12-10-13(22-20-12)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,19,21)
InChIKeyHFSBBINBPKUZPR-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.79
Rot. Bonds6

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

N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 51261982) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID51261982
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCCCCc1nnc(NC(=O)c2cc(-c3ccccc3)on2)s1
InChIInChI=1S/C16H16N4O2S/c1-2-3-9-14-18-19-16(23-14)17-15(21)12-10-13(22-20-12)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,19,21)
InChIKeyHFSBBINBPKUZPR-UHFFFAOYSA-N
XLogP3.79
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,4-dimethylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 17011674
5-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 17010920
N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 19224251
5-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 24649242
N-(5-butyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 26197186
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 717037
N-[5-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 121030306
N-(2,6-dimethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 3073010
N-(5-octyl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide
CID 46589806
N-[5-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 121030285
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
CID 5040744

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 51261982) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide is CCCCc1nnc(NC(=O)c2cc(-c3ccccc3)on2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is HFSBBINBPKUZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-2-3-9-14-18-19-16(23-14)17-15(21)12-10-13(22-20-12)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,19,21).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 3.79, 6 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)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51261982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).