5-(1-chloroethyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-oxadiazol-2-amine

C14H24ClN3O — CID 106958265

IUPAC5-(1-chloroethyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)CC1(CNc2nnc(C(C)Cl)o2)CCCC1
InChIInChI=1S/C14H24ClN3O/c1-10(2)8-14(6-4-5-7-14)9-16-13-18-17-12(19-13)11(3)15/h10-11H,4-9H2,1-3H3,(H,16,18)
InChIKeyGDIMXGLZFKFYKV-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.39
Rot. Bonds6

About 5-(1-chloroethyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-oxadiazol-2-amine

5-(1-chloroethyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106958265) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 5-(1-chloroethyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-chloroethyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106958265
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name5-(1-chloroethyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)CC1(CNc2nnc(C(C)Cl)o2)CCCC1
InChIInChI=1S/C14H24ClN3O/c1-10(2)8-14(6-4-5-7-14)9-16-13-18-17-12(19-13)11(3)15/h10-11H,4-9H2,1-3H3,(H,16,18)
InChIKeyGDIMXGLZFKFYKV-UHFFFAOYSA-N
XLogP4.39
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.39
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-(2-aminopropan-2-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]-1,3,4-oxadiazol-2-amine
CID 137337589
5-(1-chloroethyl)-N-(2-cyclopropylethyl)-1,3,4-oxadiazol-2-amine
CID 106958030
5-(1-chloroethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1,3,4-oxadiazol-2-amine
CID 106958769
5-(1-chloroethyl)-N-decyl-1,3,4-oxadiazol-2-amine
CID 106958258
5-(1-chloroethyl)-N-(2-cyclopropylpropyl)-1,3,4-oxadiazol-2-amine
CID 106958531
5-[1-(methylamino)ethyl]-N-[(1-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 114095232
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
5-(1-chloroethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106052182
5-(1-chloroethyl)-N-(3-methylsulfinylbutyl)-1,3,4-oxadiazol-2-amine
CID 106958501
5-ethyl-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-4,6-diamine
CID 80854553
5-(1-chloroethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106956807

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-chloroethyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-oxadiazol-2-amine (CID 106958265) is 5-(1-chloroethyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-chloroethyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-chloroethyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-oxadiazol-2-amine is CC(C)CC1(CNc2nnc(C(C)Cl)o2)CCCC1.
What is the InChIKey of 5-(1-chloroethyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is GDIMXGLZFKFYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-10(2)8-14(6-4-5-7-14)9-16-13-18-17-12(19-13)11(3)15/h10-11H,4-9H2,1-3H3,(H,16,18).
What are the key properties of 5-(1-chloroethyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-oxadiazol-2-amine?
5-(1-chloroethyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 285.82 g/mol, XLogP of 4.39, 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-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106958265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).