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

C11H13N3O2 — CID 3061071

IUPAC5-(2-phenoxypropan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(Oc1ccccc1)c1nnc(N)o1
InChIInChI=1S/C11H13N3O2/c1-11(2,9-13-14-10(12)15-9)16-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,12,14)
InChIKeyGADIEZUXDFCNRO-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.97
Rot. Bonds3

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

5-(2-phenoxypropan-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 3061071) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-(2-phenoxypropan-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-phenoxypropan-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID3061071
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name5-(2-phenoxypropan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(Oc1ccccc1)c1nnc(N)o1
InChIInChI=1S/C11H13N3O2/c1-11(2,9-13-14-10(12)15-9)16-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,12,14)
InChIKeyGADIEZUXDFCNRO-UHFFFAOYSA-N
XLogP1.97
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenoxypropan-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-phenoxypropan-2-yl)-1,3,4-oxadiazol-2-amine (CID 3061071) is 5-(2-phenoxypropan-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-phenoxypropan-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-phenoxypropan-2-yl)-1,3,4-oxadiazol-2-amine is CC(C)(Oc1ccccc1)c1nnc(N)o1.
What is the InChIKey of 5-(2-phenoxypropan-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is GADIEZUXDFCNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-11(2,9-13-14-10(12)15-9)16-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,12,14).
What are the key properties of 5-(2-phenoxypropan-2-yl)-1,3,4-oxadiazol-2-amine?
5-(2-phenoxypropan-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 219.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenoxypropan-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 3061071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).