5-(chloromethyl)-N-(2-methylbutan-2-yl)-1,3,4-oxadiazol-2-amine

C8H14ClN3O — CID 106956297

IUPAC5-(chloromethyl)-N-(2-methylbutan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCCC(C)(C)Nc1nnc(CCl)o1
InChIInChI=1S/C8H14ClN3O/c1-4-8(2,3)10-7-12-11-6(5-9)13-7/h4-5H2,1-3H3,(H,10,12)
InChIKeyLOASERWFEDSJDZ-UHFFFAOYSA-N
MW203.67 g/mol
LogP2.41
Rot. Bonds4

About 5-(chloromethyl)-N-(2-methylbutan-2-yl)-1,3,4-oxadiazol-2-amine

5-(chloromethyl)-N-(2-methylbutan-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 106956297) has the molecular formula C8H14ClN3O and a molecular weight of 203.67 g/mol. Its IUPAC name is 5-(chloromethyl)-N-(2-methylbutan-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-(2-methylbutan-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID106956297
Molecular FormulaC8H14ClN3O
Molecular Weight203.67 g/mol
Exact Mass203.08
IUPAC Name5-(chloromethyl)-N-(2-methylbutan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCCC(C)(C)Nc1nnc(CCl)o1
InChIInChI=1S/C8H14ClN3O/c1-4-8(2,3)10-7-12-11-6(5-9)13-7/h4-5H2,1-3H3,(H,10,12)
InChIKeyLOASERWFEDSJDZ-UHFFFAOYSA-N
XLogP2.41
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 52.41
H-Bond Donors ≤ 51
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-(2-methylbutan-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(chloromethyl)-N-(2-methylbutan-2-yl)-1,3,4-oxadiazol-2-amine (CID 106956297) is 5-(chloromethyl)-N-(2-methylbutan-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-(2-methylbutan-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-(2-methylbutan-2-yl)-1,3,4-oxadiazol-2-amine is CCC(C)(C)Nc1nnc(CCl)o1.
What is the InChIKey of 5-(chloromethyl)-N-(2-methylbutan-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is LOASERWFEDSJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3O/c1-4-8(2,3)10-7-12-11-6(5-9)13-7/h4-5H2,1-3H3,(H,10,12).
What are the key properties of 5-(chloromethyl)-N-(2-methylbutan-2-yl)-1,3,4-oxadiazol-2-amine?
5-(chloromethyl)-N-(2-methylbutan-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 203.67 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-(2-methylbutan-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106956297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).