5-(chloromethyl)-N-ethyl-N-propyl-1,3,4-oxadiazol-2-amine

C8H14ClN3O — CID 106956585

IUPAC5-(chloromethyl)-N-ethyl-N-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCN(CC)c1nnc(CCl)o1
InChIInChI=1S/C8H14ClN3O/c1-3-5-12(4-2)8-11-10-7(6-9)13-8/h3-6H2,1-2H3
InChIKeyPDEVZMYQGUOGEH-UHFFFAOYSA-N
MW203.67 g/mol
LogP2.04
Rot. Bonds5

About 5-(chloromethyl)-N-ethyl-N-propyl-1,3,4-oxadiazol-2-amine

5-(chloromethyl)-N-ethyl-N-propyl-1,3,4-oxadiazol-2-amine (PubChem CID 106956585) has the molecular formula C8H14ClN3O and a molecular weight of 203.67 g/mol. Its IUPAC name is 5-(chloromethyl)-N-ethyl-N-propyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-ethyl-N-propyl-1,3,4-oxadiazol-2-amine
PubChem CID106956585
Molecular FormulaC8H14ClN3O
Molecular Weight203.67 g/mol
Exact Mass203.08
IUPAC Name5-(chloromethyl)-N-ethyl-N-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCN(CC)c1nnc(CCl)o1
InChIInChI=1S/C8H14ClN3O/c1-3-5-12(4-2)8-11-10-7(6-9)13-8/h3-6H2,1-2H3
InChIKeyPDEVZMYQGUOGEH-UHFFFAOYSA-N
XLogP2.04
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-ethyl-N-propyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(chloromethyl)-N-ethyl-N-propyl-1,3,4-oxadiazol-2-amine (CID 106956585) is 5-(chloromethyl)-N-ethyl-N-propyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-ethyl-N-propyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-ethyl-N-propyl-1,3,4-oxadiazol-2-amine is CCCN(CC)c1nnc(CCl)o1.
What is the InChIKey of 5-(chloromethyl)-N-ethyl-N-propyl-1,3,4-oxadiazol-2-amine?
The InChIKey is PDEVZMYQGUOGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3O/c1-3-5-12(4-2)8-11-10-7(6-9)13-8/h3-6H2,1-2H3.
What are the key properties of 5-(chloromethyl)-N-ethyl-N-propyl-1,3,4-oxadiazol-2-amine?
5-(chloromethyl)-N-ethyl-N-propyl-1,3,4-oxadiazol-2-amine has a molecular weight of 203.67 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-ethyl-N-propyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106956585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).