5-(1-chloroethyl)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-amine

C11H18ClN3O — CID 106958131

IUPAC5-(1-chloroethyl)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-amine
SMILESCC(Cl)c1nnc(NC2C(C)(C)C2(C)C)o1
InChIInChI=1S/C11H18ClN3O/c1-6(12)7-14-15-9(16-7)13-8-10(2,3)11(8,4)5/h6,8H,1-5H3,(H,13,15)
InChIKeyDHEMYNBTXWOMMB-UHFFFAOYSA-N
MW243.74 g/mol
LogP3.22
Rot. Bonds3

About 5-(1-chloroethyl)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-amine

5-(1-chloroethyl)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106958131) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 5-(1-chloroethyl)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-chloroethyl)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-amine
PubChem CID106958131
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name5-(1-chloroethyl)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-amine
SMILESCC(Cl)c1nnc(NC2C(C)(C)C2(C)C)o1
InChIInChI=1S/C11H18ClN3O/c1-6(12)7-14-15-9(16-7)13-8-10(2,3)11(8,4)5/h6,8H,1-5H3,(H,13,15)
InChIKeyDHEMYNBTXWOMMB-UHFFFAOYSA-N
XLogP3.22
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 53.22
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-(1-chloroethyl)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-chloroethyl)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-amine (CID 106958131) is 5-(1-chloroethyl)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-chloroethyl)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-chloroethyl)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-amine is CC(Cl)c1nnc(NC2C(C)(C)C2(C)C)o1.
What is the InChIKey of 5-(1-chloroethyl)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is DHEMYNBTXWOMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-6(12)7-14-15-9(16-7)13-8-10(2,3)11(8,4)5/h6,8H,1-5H3,(H,13,15).
What are the key properties of 5-(1-chloroethyl)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-amine?
5-(1-chloroethyl)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 243.74 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106958131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).