N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine

C6H11N3O — CID 106392570

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine
SMILESCCCNCc1ncon1
InChIInChI=1S/C6H11N3O/c1-2-3-7-4-6-8-5-10-9-6/h5,7H,2-4H2,1H3
InChIKeyVSDZMTOWELHMGW-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.57
Rot. Bonds4

About N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine

N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine (PubChem CID 106392570) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine
PubChem CID106392570
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine
SMILESCCCNCc1ncon1
InChIInChI=1S/C6H11N3O/c1-2-3-7-4-6-8-5-10-9-6/h5,7H,2-4H2,1H3
InChIKeyVSDZMTOWELHMGW-UHFFFAOYSA-N
XLogP0.57
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.57
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 N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine (CID 106392570) is N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine is CCCNCc1ncon1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine?
The InChIKey is VSDZMTOWELHMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-2-3-7-4-6-8-5-10-9-6/h5,7H,2-4H2,1H3.
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine?
N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine has a molecular weight of 141.17 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 106392570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).