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

C10H18ClN3O — CID 106957513

IUPAC5-(1-chloroethyl)-N-hexan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCCCCC(C)Nc1nnc(C(C)Cl)o1
InChIInChI=1S/C10H18ClN3O/c1-4-5-6-7(2)12-10-14-13-9(15-10)8(3)11/h7-8H,4-6H2,1-3H3,(H,12,14)
InChIKeyMLPXAGJZWAJFMI-UHFFFAOYSA-N
MW231.73 g/mol
LogP3.36
Rot. Bonds6

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

5-(1-chloroethyl)-N-hexan-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 106957513) has the molecular formula C10H18ClN3O and a molecular weight of 231.73 g/mol. Its IUPAC name is 5-(1-chloroethyl)-N-hexan-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-chloroethyl)-N-hexan-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID106957513
Molecular FormulaC10H18ClN3O
Molecular Weight231.73 g/mol
Exact Mass231.11
IUPAC Name5-(1-chloroethyl)-N-hexan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCCCCC(C)Nc1nnc(C(C)Cl)o1
InChIInChI=1S/C10H18ClN3O/c1-4-5-6-7(2)12-10-14-13-9(15-10)8(3)11/h7-8H,4-6H2,1-3H3,(H,12,14)
InChIKeyMLPXAGJZWAJFMI-UHFFFAOYSA-N
XLogP3.36
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(1-chloroethyl)-N-(4-methoxybutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106957996
5-(1-chloroethyl)-N-pentyl-1,3,4-oxadiazol-2-amine
CID 106958884
5-(1-chloroethyl)-N-decyl-1,3,4-oxadiazol-2-amine
CID 106958258
5-(1-chloroethyl)-N-(3-ethylpentan-3-yl)-1,3,4-oxadiazol-2-amine
CID 106957939
N-(4-butylphenyl)-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106956627
5-(1-chloroethyl)-N-(1-cyclopropylethyl)-1,3,4-oxadiazol-2-amine
CID 106956662
5-(1-chloroethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1,3,4-oxadiazol-2-amine
CID 106958769
5-(aminomethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine
CID 106966295
2-(1-chloroethyl)-5-octyl-1,3,4-oxadiazole
CID 65448540
5-(1-chloroethyl)-N-(1-cyclohexylethyl)-1,3,4-oxadiazol-2-amine
CID 106957599
5-(1-chloroethyl)-N-(1-pyridin-3-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106956656
2-(1-chloroethyl)-5-propyl-1,3,4-oxadiazole
CID 43513036

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-N-hexan-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-chloroethyl)-N-hexan-2-yl-1,3,4-oxadiazol-2-amine (CID 106957513) is 5-(1-chloroethyl)-N-hexan-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-chloroethyl)-N-hexan-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-chloroethyl)-N-hexan-2-yl-1,3,4-oxadiazol-2-amine is CCCCC(C)Nc1nnc(C(C)Cl)o1.
What is the InChIKey of 5-(1-chloroethyl)-N-hexan-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is MLPXAGJZWAJFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O/c1-4-5-6-7(2)12-10-14-13-9(15-10)8(3)11/h7-8H,4-6H2,1-3H3,(H,12,14).
What are the key properties of 5-(1-chloroethyl)-N-hexan-2-yl-1,3,4-oxadiazol-2-amine?
5-(1-chloroethyl)-N-hexan-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 231.73 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-N-hexan-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106957513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).