5-(chloromethyl)-N-cyclopentyl-N-methyl-1,3,4-oxadiazol-2-amine

C9H14ClN3O — CID 106956579

IUPAC5-(chloromethyl)-N-cyclopentyl-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCN(c1nnc(CCl)o1)C1CCCC1
InChIInChI=1S/C9H14ClN3O/c1-13(7-4-2-3-5-7)9-12-11-8(6-10)14-9/h7H,2-6H2,1H3
InChIKeyNRTRWDDEWIIXIZ-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.19
Rot. Bonds3

About 5-(chloromethyl)-N-cyclopentyl-N-methyl-1,3,4-oxadiazol-2-amine

5-(chloromethyl)-N-cyclopentyl-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 106956579) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 5-(chloromethyl)-N-cyclopentyl-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-cyclopentyl-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID106956579
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name5-(chloromethyl)-N-cyclopentyl-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCN(c1nnc(CCl)o1)C1CCCC1
InChIInChI=1S/C9H14ClN3O/c1-13(7-4-2-3-5-7)9-12-11-8(6-10)14-9/h7H,2-6H2,1H3
InChIKeyNRTRWDDEWIIXIZ-UHFFFAOYSA-N
XLogP2.19
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.19
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-cyclopentyl-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(chloromethyl)-N-cyclopentyl-N-methyl-1,3,4-oxadiazol-2-amine (CID 106956579) is 5-(chloromethyl)-N-cyclopentyl-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-cyclopentyl-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-cyclopentyl-N-methyl-1,3,4-oxadiazol-2-amine is CN(c1nnc(CCl)o1)C1CCCC1.
What is the InChIKey of 5-(chloromethyl)-N-cyclopentyl-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is NRTRWDDEWIIXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-13(7-4-2-3-5-7)9-12-11-8(6-10)14-9/h7H,2-6H2,1H3.
What are the key properties of 5-(chloromethyl)-N-cyclopentyl-N-methyl-1,3,4-oxadiazol-2-amine?
5-(chloromethyl)-N-cyclopentyl-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 215.68 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-cyclopentyl-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106956579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).