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

C15H17Cl2N3O — CID 107917827

IUPAC2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
SMILESNC1CCCCCC1c1nc(-c2cc(Cl)cc(Cl)c2)no1
InChIInChI=1S/C15H17Cl2N3O/c16-10-6-9(7-11(17)8-10)14-19-15(21-20-14)12-4-2-1-3-5-13(12)18/h6-8,12-13H,1-5,18H2
InChIKeyVETIBYSJCUXPKC-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.42
Rot. Bonds2

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

2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine (PubChem CID 107917827) has the molecular formula C15H17Cl2N3O and a molecular weight of 326.23 g/mol. Its IUPAC name is 2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine.

Molecular Properties

Compound Name2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
PubChem CID107917827
Molecular FormulaC15H17Cl2N3O
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
SMILESNC1CCCCCC1c1nc(-c2cc(Cl)cc(Cl)c2)no1
InChIInChI=1S/C15H17Cl2N3O/c16-10-6-9(7-11(17)8-10)14-19-15(21-20-14)12-4-2-1-3-5-13(12)18/h6-8,12-13H,1-5,18H2
InChIKeyVETIBYSJCUXPKC-UHFFFAOYSA-N
XLogP4.42
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
CID 107918248
2-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]cyclooctan-1-amine
CID 120892331
3-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 107918226
5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole
CID 104880666
trans-(1R,2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 96803162
2-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 107915071
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474272
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 65390691
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 63348400
2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63350428
2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 79719199
2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 82624848

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine?
The IUPAC name of 2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine (CID 107917827) is 2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine.
What is the SMILES notation for 2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine?
The canonical SMILES for 2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine is NC1CCCCCC1c1nc(-c2cc(Cl)cc(Cl)c2)no1.
What is the InChIKey of 2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine?
The InChIKey is VETIBYSJCUXPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O/c16-10-6-9(7-11(17)8-10)14-19-15(21-20-14)12-4-2-1-3-5-13(12)18/h6-8,12-13H,1-5,18H2.
What are the key properties of 2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine?
2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine has a molecular weight of 326.23 g/mol, XLogP of 4.42, 2 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]cycloheptan-1-amine is sourced from PubChem (CID 107917827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).