5-tridecyl-1,2,4-oxadiazol-3-amine

C15H29N3O — CID 19780334

IUPAC5-tridecyl-1,2,4-oxadiazol-3-amine
SMILESCCCCCCCCCCCCCc1nc(N)no1
InChIInChI=1S/C15H29N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15(16)18-19-14/h2-13H2,1H3,(H2,16,18)
InChIKeyZWPCHESIQKVQMT-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.51
Rot. Bonds12

About 5-tridecyl-1,2,4-oxadiazol-3-amine

5-tridecyl-1,2,4-oxadiazol-3-amine (PubChem CID 19780334) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 5-tridecyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-tridecyl-1,2,4-oxadiazol-3-amine
PubChem CID19780334
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name5-tridecyl-1,2,4-oxadiazol-3-amine
SMILESCCCCCCCCCCCCCc1nc(N)no1
InChIInChI=1S/C15H29N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15(16)18-19-14/h2-13H2,1H3,(H2,16,18)
InChIKeyZWPCHESIQKVQMT-UHFFFAOYSA-N
XLogP4.51
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-tridecyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-tridecyl-1,2,4-oxadiazol-3-amine (CID 19780334) is 5-tridecyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-tridecyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-tridecyl-1,2,4-oxadiazol-3-amine is CCCCCCCCCCCCCc1nc(N)no1.
What is the InChIKey of 5-tridecyl-1,2,4-oxadiazol-3-amine?
The InChIKey is ZWPCHESIQKVQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15(16)18-19-14/h2-13H2,1H3,(H2,16,18).
What are the key properties of 5-tridecyl-1,2,4-oxadiazol-3-amine?
5-tridecyl-1,2,4-oxadiazol-3-amine has a molecular weight of 267.42 g/mol, XLogP of 4.51, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tridecyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 19780334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).