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

C11H13N3O — CID 43119529

IUPAC5-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(CCCc2ccccc2)o1
InChIInChI=1S/C11H13N3O/c12-11-14-13-10(15-11)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,12,14)
InChIKeyJEHSJISJSSMCTC-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.83
Rot. Bonds4

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

5-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 43119529) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 5-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine
PubChem CID43119529
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name5-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(CCCc2ccccc2)o1
InChIInChI=1S/C11H13N3O/c12-11-14-13-10(15-11)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,12,14)
InChIKeyJEHSJISJSSMCTC-UHFFFAOYSA-N
XLogP1.83
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine (CID 43119529) is 5-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine is Nc1nnc(CCCc2ccccc2)o1.
What is the InChIKey of 5-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is JEHSJISJSSMCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-11-14-13-10(15-11)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,12,14).
What are the key properties of 5-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine?
5-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 203.25 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 43119529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).