3-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine

C13H23N3O2 — CID 55048095

IUPAC3-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNCCCc1nnc(C2CCCCO2)o1
InChIInChI=1S/C13H23N3O2/c1-2-8-14-9-5-7-12-15-16-13(18-12)11-6-3-4-10-17-11/h11,14H,2-10H2,1H3
InChIKeyQMWRWZNRCBSVKF-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.24
Rot. Bonds7

About 3-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine

3-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (PubChem CID 55048095) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
PubChem CID55048095
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNCCCc1nnc(C2CCCCO2)o1
InChIInChI=1S/C13H23N3O2/c1-2-8-14-9-5-7-12-15-16-13(18-12)11-6-3-4-10-17-11/h11,14H,2-10H2,1H3
InChIKeyQMWRWZNRCBSVKF-UHFFFAOYSA-N
XLogP2.24
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The IUPAC name of 3-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (CID 55048095) is 3-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 3-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for 3-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is CCCNCCCc1nnc(C2CCCCO2)o1.
What is the InChIKey of 3-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The InChIKey is QMWRWZNRCBSVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-2-8-14-9-5-7-12-15-16-13(18-12)11-6-3-4-10-17-11/h11,14H,2-10H2,1H3.
What are the key properties of 3-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
3-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine has a molecular weight of 253.35 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 55048095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).