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

C14H26ClN3O — CID 106958258

IUPAC5-(1-chloroethyl)-N-decyl-1,3,4-oxadiazol-2-amine
SMILESCCCCCCCCCCNc1nnc(C(C)Cl)o1
InChIInChI=1S/C14H26ClN3O/c1-3-4-5-6-7-8-9-10-11-16-14-18-17-13(19-14)12(2)15/h12H,3-11H2,1-2H3,(H,16,18)
InChIKeyYWRNGPPMOKXOIC-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.92
Rot. Bonds11

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

5-(1-chloroethyl)-N-decyl-1,3,4-oxadiazol-2-amine (PubChem CID 106958258) has the molecular formula C14H26ClN3O and a molecular weight of 287.83 g/mol. Its IUPAC name is 5-(1-chloroethyl)-N-decyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-chloroethyl)-N-decyl-1,3,4-oxadiazol-2-amine
PubChem CID106958258
Molecular FormulaC14H26ClN3O
Molecular Weight287.83 g/mol
Exact Mass287.18
IUPAC Name5-(1-chloroethyl)-N-decyl-1,3,4-oxadiazol-2-amine
SMILESCCCCCCCCCCNc1nnc(C(C)Cl)o1
InChIInChI=1S/C14H26ClN3O/c1-3-4-5-6-7-8-9-10-11-16-14-18-17-13(19-14)12(2)15/h12H,3-11H2,1-2H3,(H,16,18)
InChIKeyYWRNGPPMOKXOIC-UHFFFAOYSA-N
XLogP4.92
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-(1-chloroethyl)-N-pentyl-1,3,4-oxadiazol-2-amine
CID 106958884
5-(1-aminoethyl)-N-pentyl-1,3,4-oxadiazol-2-amine
CID 106966116
5-(1-chloroethyl)-N-hexan-2-yl-1,3,4-oxadiazol-2-amine
CID 106957513
5-(1-chloroethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1,3,4-oxadiazol-2-amine
CID 106958769
2-(1-chloroethyl)-5-octyl-1,3,4-oxadiazole
CID 65448540
5-(1-chloroethyl)-N-(3-imidazol-1-ylpropyl)-1,3,4-oxadiazol-2-amine
CID 106959120
5-(1-chloroethyl)-N-(3-methylsulfinylbutyl)-1,3,4-oxadiazol-2-amine
CID 106958501
5-(1-aminoethyl)-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine
CID 114004538
5-(1-chloroethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106956807
5-[1-(ethylamino)ethyl]-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine
CID 107819579
N-tert-butyl-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106956306
5-(1-chloroethyl)-N-(3-ethylpentan-3-yl)-1,3,4-oxadiazol-2-amine
CID 106957939

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-N-decyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-chloroethyl)-N-decyl-1,3,4-oxadiazol-2-amine (CID 106958258) is 5-(1-chloroethyl)-N-decyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-chloroethyl)-N-decyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-chloroethyl)-N-decyl-1,3,4-oxadiazol-2-amine is CCCCCCCCCCNc1nnc(C(C)Cl)o1.
What is the InChIKey of 5-(1-chloroethyl)-N-decyl-1,3,4-oxadiazol-2-amine?
The InChIKey is YWRNGPPMOKXOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClN3O/c1-3-4-5-6-7-8-9-10-11-16-14-18-17-13(19-14)12(2)15/h12H,3-11H2,1-2H3,(H,16,18).
What are the key properties of 5-(1-chloroethyl)-N-decyl-1,3,4-oxadiazol-2-amine?
5-(1-chloroethyl)-N-decyl-1,3,4-oxadiazol-2-amine has a molecular weight of 287.83 g/mol, XLogP of 4.92, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-N-decyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106958258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).