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

C9H14ClN3O — CID 106958030

IUPAC5-(1-chloroethyl)-N-(2-cyclopropylethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(Cl)c1nnc(NCCC2CC2)o1
InChIInChI=1S/C9H14ClN3O/c1-6(10)8-12-13-9(14-8)11-5-4-7-2-3-7/h6-7H,2-5H2,1H3,(H,11,13)
InChIKeyTVJLWJUDFDNWML-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.58
Rot. Bonds5

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

5-(1-chloroethyl)-N-(2-cyclopropylethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106958030) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 5-(1-chloroethyl)-N-(2-cyclopropylethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-chloroethyl)-N-(2-cyclopropylethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106958030
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name5-(1-chloroethyl)-N-(2-cyclopropylethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(Cl)c1nnc(NCCC2CC2)o1
InChIInChI=1S/C9H14ClN3O/c1-6(10)8-12-13-9(14-8)11-5-4-7-2-3-7/h6-7H,2-5H2,1H3,(H,11,13)
InChIKeyTVJLWJUDFDNWML-UHFFFAOYSA-N
XLogP2.58
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.58
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-(ethylamino)ethyl]-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961976
5-(1-chloroethyl)-N-(2-cyclopropylpropyl)-1,3,4-oxadiazol-2-amine
CID 106958531
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
N-tert-butyl-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106956306
5-(1-chloroethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1,3,4-oxadiazol-2-amine
CID 106958769
N-(2-cyclobutylethyl)-5-methyl-1,3,4-oxadiazol-2-amine
CID 126997706
5-(1-chloroethyl)-N-(3-methylsulfinylbutyl)-1,3,4-oxadiazol-2-amine
CID 106958501
5-(1-chloroethyl)-N-(2-ethylsulfinylethyl)-1,3,4-oxadiazol-2-amine
CID 106958642
5-(1-chloroethyl)-N-(1-cyclopropylethyl)-1,3,4-oxadiazol-2-amine
CID 106956662
5-(1-chloroethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106956807
5-(1-chloroethyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-oxadiazol-2-amine
CID 106958265

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-N-(2-cyclopropylethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-chloroethyl)-N-(2-cyclopropylethyl)-1,3,4-oxadiazol-2-amine (CID 106958030) is 5-(1-chloroethyl)-N-(2-cyclopropylethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-chloroethyl)-N-(2-cyclopropylethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-chloroethyl)-N-(2-cyclopropylethyl)-1,3,4-oxadiazol-2-amine is CC(Cl)c1nnc(NCCC2CC2)o1.
What is the InChIKey of 5-(1-chloroethyl)-N-(2-cyclopropylethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is TVJLWJUDFDNWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-6(10)8-12-13-9(14-8)11-5-4-7-2-3-7/h6-7H,2-5H2,1H3,(H,11,13).
What are the key properties of 5-(1-chloroethyl)-N-(2-cyclopropylethyl)-1,3,4-oxadiazol-2-amine?
5-(1-chloroethyl)-N-(2-cyclopropylethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 215.68 g/mol, XLogP of 2.58, 5 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-cyclopropylethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106958030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).