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

C10H16ClN3O — CID 106957754

IUPAC5-(1-chloroethyl)-N-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-amine
SMILESCC(Cl)c1nnc(NC2CCCC2C)o1
InChIInChI=1S/C10H16ClN3O/c1-6-4-3-5-8(6)12-10-14-13-9(15-10)7(2)11/h6-8H,3-5H2,1-2H3,(H,12,14)
InChIKeyGCWGCDULNBNRFR-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.97
Rot. Bonds3

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

5-(1-chloroethyl)-N-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106957754) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 5-(1-chloroethyl)-N-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-chloroethyl)-N-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-amine
PubChem CID106957754
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name5-(1-chloroethyl)-N-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-amine
SMILESCC(Cl)c1nnc(NC2CCCC2C)o1
InChIInChI=1S/C10H16ClN3O/c1-6-4-3-5-8(6)12-10-14-13-9(15-10)7(2)11/h6-8H,3-5H2,1-2H3,(H,12,14)
InChIKeyGCWGCDULNBNRFR-UHFFFAOYSA-N
XLogP2.97
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.97
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-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106967919
5-(1-chloroethyl)-N-(oxan-3-yl)-1,3,4-oxadiazol-2-amine
CID 106957785
2-N-(2-methylcycloheptyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437122
5-(methylaminomethyl)-N-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-amine
CID 106961401
5-(1-chloroethyl)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-amine
CID 106958131
5-(1-chloroethyl)-N-(1-cyclohexylethyl)-1,3,4-oxadiazol-2-amine
CID 106957599
5-[1-(methylamino)ethyl]-N-(3-methylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106968929
5-[(cyclopropylamino)methyl]-N-(2,3-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106967918
5-(1-chloroethyl)-N-(3-ethylpentan-3-yl)-1,3,4-oxadiazol-2-amine
CID 106957939
5-[1-(ethylamino)ethyl]-N-(2-propan-2-ylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106963967
5-(1-aminoethyl)-N-(1-cyclobutylethyl)-1,3,4-oxadiazol-2-amine
CID 106965505
5-(1-chloroethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1,3,4-oxadiazol-2-amine
CID 106958769

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-N-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-chloroethyl)-N-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-amine (CID 106957754) is 5-(1-chloroethyl)-N-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-chloroethyl)-N-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-chloroethyl)-N-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-amine is CC(Cl)c1nnc(NC2CCCC2C)o1.
What is the InChIKey of 5-(1-chloroethyl)-N-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is GCWGCDULNBNRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-6-4-3-5-8(6)12-10-14-13-9(15-10)7(2)11/h6-8H,3-5H2,1-2H3,(H,12,14).
What are the key properties of 5-(1-chloroethyl)-N-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-amine?
5-(1-chloroethyl)-N-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 229.71 g/mol, XLogP of 2.97, 3 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-methylcyclopentyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106957754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).