5-phenyl-1,3,4-oxadiazol-2-amine

C8H7N3O — CID 15363

IUPAC5-phenyl-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccccc2)o1
InChIInChI=1S/C8H7N3O/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h1-5H,(H2,9,11)
InChIKeyCQSFYCBGVMWPCM-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.32
Rot. Bonds1

About 5-phenyl-1,3,4-oxadiazol-2-amine

5-phenyl-1,3,4-oxadiazol-2-amine (PubChem CID 15363) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 5-phenyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-phenyl-1,3,4-oxadiazol-2-amine
PubChem CID15363
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name5-phenyl-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccccc2)o1
InChIInChI=1S/C8H7N3O/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h1-5H,(H2,9,11)
InChIKeyCQSFYCBGVMWPCM-UHFFFAOYSA-N
XLogP1.32
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.32
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
2-(4-Methylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 259997
2-(Chloromethyl)-5-phenyl-1,3,4-oxadiazole
CID 314941
5-(4-Bromophenyl)-1,3,4-oxadiazol-2-amine
CID 356897
2,5-Bis(4-methylphenyl)-1,3,4-oxadiazole
CID 17227
5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 356899
2-Benzyl-5-phenyl-1,3,4-oxadiazole
CID 800230
5-(3-Chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 121151
5-(4-Methylphenyl)-1,3,4-oxadiazol-2-amine
CID 356898
5-(3-Bromophenyl)-1,3,4-oxadiazol-2-amine
CID 3490544
1,3,4-Oxadiazole, 2-(2-methylphenyl)-5-phenyl-
CID 259999

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-phenyl-1,3,4-oxadiazol-2-amine (CID 15363) is 5-phenyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-phenyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-phenyl-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2ccccc2)o1.
What is the InChIKey of 5-phenyl-1,3,4-oxadiazol-2-amine?
The InChIKey is CQSFYCBGVMWPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h1-5H,(H2,9,11).
What are the key properties of 5-phenyl-1,3,4-oxadiazol-2-amine?
5-phenyl-1,3,4-oxadiazol-2-amine has a molecular weight of 161.16 g/mol, XLogP of 1.32, 1 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-oxadiazol-2-amine is sourced from PubChem (CID 15363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).