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

C9H16ClN3O2 — CID 106958155

IUPAC5-(2-chloroethyl)-N-(2-ethoxyethyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCCOCCN(C)c1nnc(CCCl)o1
InChIInChI=1S/C9H16ClN3O2/c1-3-14-7-6-13(2)9-12-11-8(15-9)4-5-10/h3-7H2,1-2H3
InChIKeyNYHIZNUHUXVMPI-UHFFFAOYSA-N
MW233.70 g/mol
LogP1.32
Rot. Bonds7

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

5-(2-chloroethyl)-N-(2-ethoxyethyl)-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 106958155) has the molecular formula C9H16ClN3O2 and a molecular weight of 233.70 g/mol. Its IUPAC name is 5-(2-chloroethyl)-N-(2-ethoxyethyl)-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-chloroethyl)-N-(2-ethoxyethyl)-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID106958155
Molecular FormulaC9H16ClN3O2
Molecular Weight233.70 g/mol
Exact Mass233.09
IUPAC Name5-(2-chloroethyl)-N-(2-ethoxyethyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCCOCCN(C)c1nnc(CCCl)o1
InChIInChI=1S/C9H16ClN3O2/c1-3-14-7-6-13(2)9-12-11-8(15-9)4-5-10/h3-7H2,1-2H3
InChIKeyNYHIZNUHUXVMPI-UHFFFAOYSA-N
XLogP1.32
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-3-methoxypropan-2-ol
CID 106957421
5-(2-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106957705
2-(2-chloroethyl)-5-propyl-1,3,4-oxadiazole
CID 43513170
5-(2-chloroethyl)-N-[(4-chlorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106957378
5-(2-chloroethyl)-N-methyl-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106957071
5-(2-chloroethyl)-N-(4-methoxyphenyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106957099
3-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide
CID 106959222
2-(2-chloroethyl)-5-(2-methoxyethyl)-1,3,4-oxadiazole
CID 62588931
2-chloro-5-(3-ethoxypropyl)-1,3,4-oxadiazole
CID 114771018
5-(2-chloroethyl)-N-methyl-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106957758
2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methylpropyl)acetamide
CID 106958432
6-chloro-N-(2-ethoxyethyl)-N,4,5-trimethylpyridazin-3-amine
CID 81062603

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-N-(2-ethoxyethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-chloroethyl)-N-(2-ethoxyethyl)-N-methyl-1,3,4-oxadiazol-2-amine (CID 106958155) is 5-(2-chloroethyl)-N-(2-ethoxyethyl)-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-chloroethyl)-N-(2-ethoxyethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-chloroethyl)-N-(2-ethoxyethyl)-N-methyl-1,3,4-oxadiazol-2-amine is CCOCCN(C)c1nnc(CCCl)o1.
What is the InChIKey of 5-(2-chloroethyl)-N-(2-ethoxyethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is NYHIZNUHUXVMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3O2/c1-3-14-7-6-13(2)9-12-11-8(15-9)4-5-10/h3-7H2,1-2H3.
What are the key properties of 5-(2-chloroethyl)-N-(2-ethoxyethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
5-(2-chloroethyl)-N-(2-ethoxyethyl)-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 233.70 g/mol, XLogP of 1.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-N-(2-ethoxyethyl)-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106958155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).