5-phenyl-1,3,4-oxadiazole-2-carboxamide

C9H7N3O2 — CID 589256

IUPAC5-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESNC(=O)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C9H7N3O2/c10-7(13)9-12-11-8(14-9)6-4-2-1-3-5-6/h1-5H,(H2,10,13)
InChIKeyUPYDLJVHFJXBAB-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.84
Rot. Bonds2

About 5-phenyl-1,3,4-oxadiazole-2-carboxamide

5-phenyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 589256) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 5-phenyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-phenyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID589256
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name5-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESNC(=O)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C9H7N3O2/c10-7(13)9-12-11-8(14-9)6-4-2-1-3-5-6/h1-5H,(H2,10,13)
InChIKeyUPYDLJVHFJXBAB-UHFFFAOYSA-N
XLogP0.84
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,4-Oxadiazole, 2-5-diphenyl-
CID 12888
1,3,4-Oxadiazole, 2-phenyl-
CID 13217
Ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate
CID 651752
2-(4-Methylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 259997
2-(Chloromethyl)-5-phenyl-1,3,4-oxadiazole
CID 314941
2,5-Bis(4-methylphenyl)-1,3,4-oxadiazole
CID 17227
2-Benzyl-5-phenyl-1,3,4-oxadiazole
CID 800230
1,3,4-Oxadiazole, 2-amino-5-phenyl-
CID 15363
2-(3-Methylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 259998
Methyl phenyl-1,3,4-oxadiazole
CID 138101
2,5-Bis(4-fluorophenyl)-1,3,4-oxadiazole
CID 259840
1,3,4-Oxadiazole-2-methanol, 5-phenyl-
CID 3041361

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-phenyl-1,3,4-oxadiazole-2-carboxamide (CID 589256) is 5-phenyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-phenyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-phenyl-1,3,4-oxadiazole-2-carboxamide is NC(=O)c1nnc(-c2ccccc2)o1.
What is the InChIKey of 5-phenyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is UPYDLJVHFJXBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c10-7(13)9-12-11-8(14-9)6-4-2-1-3-5-6/h1-5H,(H2,10,13).
What are the key properties of 5-phenyl-1,3,4-oxadiazole-2-carboxamide?
5-phenyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 189.17 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 589256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).