3-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclobutan-1-amine

C12H13N3O — CID 90064881

IUPAC3-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclobutan-1-amine
SMILESNC1CC(c2nnc(-c3ccccc3)o2)C1
InChIInChI=1S/C12H13N3O/c13-10-6-9(7-10)12-15-14-11(16-12)8-4-2-1-3-5-8/h1-5,9-10H,6-7,13H2
InChIKeyHPJUTGLKMAZTQS-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.94
Rot. Bonds2

About 3-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclobutan-1-amine

3-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclobutan-1-amine (PubChem CID 90064881) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclobutan-1-amine
PubChem CID90064881
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclobutan-1-amine
SMILESNC1CC(c2nnc(-c3ccccc3)o2)C1
InChIInChI=1S/C12H13N3O/c13-10-6-9(7-10)12-15-14-11(16-12)8-4-2-1-3-5-8/h1-5,9-10H,6-7,13H2
InChIKeyHPJUTGLKMAZTQS-UHFFFAOYSA-N
XLogP1.94
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.94
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-Benzyl-5-phenyl-1,3,4-oxadiazole
CID 800230
Methyl phenyl-1,3,4-oxadiazole
CID 138101
5-Phenyl-1,3,4-oxadiazole-2-propionic acid
CID 7130633
N-cyclohexyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 16192128
2-(4-Fluorophenyl)-5-phenyl-1,3,4-oxadiazole
CID 74100
1-(5-Phenyl-1,3,4-oxadiazol-2-yl)methanamine
CID 600190
2-[2-(4-Methylphenyl)vinyl]-5-phenyl-1,3,4-oxadiazole
CID 6089462
N-(1-phenylethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 16192092
(r)-2-amino-N-((5-phenyl-1,3,4-oxadiazol-2-yl)methyl)propanamide
CID 132279660
2-(2-Fluorophenyl)-5-phenyl-1,3,4-oxadiazole
CID 96842

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclobutan-1-amine (CID 90064881) is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclobutan-1-amine is NC1CC(c2nnc(-c3ccccc3)o2)C1.
What is the InChIKey of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclobutan-1-amine?
The InChIKey is HPJUTGLKMAZTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-10-6-9(7-10)12-15-14-11(16-12)8-4-2-1-3-5-8/h1-5,9-10H,6-7,13H2.
What are the key properties of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclobutan-1-amine?
3-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclobutan-1-amine has a molecular weight of 215.26 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 90064881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).