5-(1-phenylcyclopropyl)-1,3,4-oxadiazol-2-amine

C11H11N3O — CID 62877248

IUPAC5-(1-phenylcyclopropyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(C2(c3ccccc3)CC2)o1
InChIInChI=1S/C11H11N3O/c12-10-14-13-9(15-10)11(6-7-11)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,14)
InChIKeyZATFYTDKFCGNFC-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.73
Rot. Bonds2

About 5-(1-phenylcyclopropyl)-1,3,4-oxadiazol-2-amine

5-(1-phenylcyclopropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 62877248) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 5-(1-phenylcyclopropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-phenylcyclopropyl)-1,3,4-oxadiazol-2-amine
PubChem CID62877248
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name5-(1-phenylcyclopropyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(C2(c3ccccc3)CC2)o1
InChIInChI=1S/C11H11N3O/c12-10-14-13-9(15-10)11(6-7-11)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,14)
InChIKeyZATFYTDKFCGNFC-UHFFFAOYSA-N
XLogP1.73
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylcyclopropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-phenylcyclopropyl)-1,3,4-oxadiazol-2-amine (CID 62877248) is 5-(1-phenylcyclopropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-phenylcyclopropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-phenylcyclopropyl)-1,3,4-oxadiazol-2-amine is Nc1nnc(C2(c3ccccc3)CC2)o1.
What is the InChIKey of 5-(1-phenylcyclopropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is ZATFYTDKFCGNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-10-14-13-9(15-10)11(6-7-11)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,14).
What are the key properties of 5-(1-phenylcyclopropyl)-1,3,4-oxadiazol-2-amine?
5-(1-phenylcyclopropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 201.23 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylcyclopropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 62877248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).