5-benzyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine

C12H13N3O — CID 135015414

IUPAC5-benzyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine
SMILESc1ccc(Cc2nnc(NC3CC3)o2)cc1
InChIInChI=1S/C12H13N3O/c1-2-4-9(5-3-1)8-11-14-15-12(16-11)13-10-6-7-10/h1-5,10H,6-8H2,(H,13,15)
InChIKeyKGMLOGYDJLOHJH-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.23
Rot. Bonds4

About 5-benzyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine

5-benzyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine (PubChem CID 135015414) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 5-benzyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-benzyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine
PubChem CID135015414
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name5-benzyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine
SMILESc1ccc(Cc2nnc(NC3CC3)o2)cc1
InChIInChI=1S/C12H13N3O/c1-2-4-9(5-3-1)8-11-14-15-12(16-11)13-10-6-7-10/h1-5,10H,6-8H2,(H,13,15)
InChIKeyKGMLOGYDJLOHJH-UHFFFAOYSA-N
XLogP2.23
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-benzyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine (CID 135015414) is 5-benzyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-benzyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-benzyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine is c1ccc(Cc2nnc(NC3CC3)o2)cc1.
What is the InChIKey of 5-benzyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine?
The InChIKey is KGMLOGYDJLOHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-2-4-9(5-3-1)8-11-14-15-12(16-11)13-10-6-7-10/h1-5,10H,6-8H2,(H,13,15).
What are the key properties of 5-benzyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine?
5-benzyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine has a molecular weight of 215.26 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 135015414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).