2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine

C14H15Cl2N3O — CID 107918248

IUPAC2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1c1nc(-c2cc(Cl)cc(Cl)c2)no1
InChIInChI=1S/C14H15Cl2N3O/c1-17-12-4-2-3-11(12)14-18-13(19-20-14)8-5-9(15)7-10(16)6-8/h5-7,11-12,17H,2-4H2,1H3
InChIKeyZAJSIUOJBVXBSI-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.90
Rot. Bonds3

About 2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine

2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine (PubChem CID 107918248) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
PubChem CID107918248
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1c1nc(-c2cc(Cl)cc(Cl)c2)no1
InChIInChI=1S/C14H15Cl2N3O/c1-17-12-4-2-3-11(12)14-18-13(19-20-14)8-5-9(15)7-10(16)6-8/h5-7,11-12,17H,2-4H2,1H3
InChIKeyZAJSIUOJBVXBSI-UHFFFAOYSA-N
XLogP3.90
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 63348400
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 63347506
N-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cycloheptan-1-amine
CID 63347847
2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
CID 63350172
2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 107917827
N-methyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 65198285
2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
CID 63348630
3-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 107918226
2-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylcyclopentan-1-amine
CID 63348240
5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole
CID 104880666
2-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 107924535
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcycloheptan-1-amine
CID 63350862

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine?
The IUPAC name of 2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine (CID 107918248) is 2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine is CNC1CCCC1c1nc(-c2cc(Cl)cc(Cl)c2)no1.
What is the InChIKey of 2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine?
The InChIKey is ZAJSIUOJBVXBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-17-12-4-2-3-11(12)14-18-13(19-20-14)8-5-9(15)7-10(16)6-8/h5-7,11-12,17H,2-4H2,1H3.
What are the key properties of 2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine?
2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine has a molecular weight of 312.20 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine is sourced from PubChem (CID 107918248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).