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

C11H20ClN3O3 — CID 106957138

IUPAC5-(2-chloroethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3,4-oxadiazol-2-amine
SMILESCOCCCN(CCOC)c1nnc(CCCl)o1
InChIInChI=1S/C11H20ClN3O3/c1-16-8-3-6-15(7-9-17-2)11-14-13-10(18-11)4-5-12/h3-9H2,1-2H3
InChIKeyZXCWYQNZJWRQEX-UHFFFAOYSA-N
MW277.75 g/mol
LogP1.34
Rot. Bonds10

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

5-(2-chloroethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106957138) has the molecular formula C11H20ClN3O3 and a molecular weight of 277.75 g/mol. Its IUPAC name is 5-(2-chloroethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-chloroethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3,4-oxadiazol-2-amine
PubChem CID106957138
Molecular FormulaC11H20ClN3O3
Molecular Weight277.75 g/mol
Exact Mass277.12
IUPAC Name5-(2-chloroethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3,4-oxadiazol-2-amine
SMILESCOCCCN(CCOC)c1nnc(CCCl)o1
InChIInChI=1S/C11H20ClN3O3/c1-16-8-3-6-15(7-9-17-2)11-14-13-10(18-11)4-5-12/h3-9H2,1-2H3
InChIKeyZXCWYQNZJWRQEX-UHFFFAOYSA-N
XLogP1.34
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-chloroethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3,4-oxadiazol-2-amine (CID 106957138) is 5-(2-chloroethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-chloroethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-chloroethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3,4-oxadiazol-2-amine is COCCCN(CCOC)c1nnc(CCCl)o1.
What is the InChIKey of 5-(2-chloroethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is ZXCWYQNZJWRQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3O3/c1-16-8-3-6-15(7-9-17-2)11-14-13-10(18-11)4-5-12/h3-9H2,1-2H3.
What are the key properties of 5-(2-chloroethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3,4-oxadiazol-2-amine?
5-(2-chloroethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 277.75 g/mol, XLogP of 1.34, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106957138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).