5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole

C14H13Cl2N3O — CID 104880666

IUPAC5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole
SMILESClc1cc(Cl)cc(-c2noc(C3CC4CCC3N4)n2)c1
InChIInChI=1S/C14H13Cl2N3O/c15-8-3-7(4-9(16)5-8)13-18-14(20-19-13)11-6-10-1-2-12(11)17-10/h3-5,10-12,17H,1-2,6H2
InChIKeyMGTVFXVHIZQUTK-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.65
Rot. Bonds2

About 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole

5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole (PubChem CID 104880666) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole
PubChem CID104880666
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole
SMILESClc1cc(Cl)cc(-c2noc(C3CC4CCC3N4)n2)c1
InChIInChI=1S/C14H13Cl2N3O/c15-8-3-7(4-9(16)5-8)13-18-14(20-19-13)11-6-10-1-2-12(11)17-10/h3-5,10-12,17H,1-2,6H2
InChIKeyMGTVFXVHIZQUTK-UHFFFAOYSA-N
XLogP3.65
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazole
CID 79782946
2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 107917827
3-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 107918226
2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
CID 107918248
(3R,5R)-5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 107917770
5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(azepan-1-yl)-1,2,4-oxadiazole
CID 116808055
3-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-3-yl]thiolane 1,1-dioxide
CID 115335846
5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 66071347
(1R,2R,4S)-2-(5-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 11369535
5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(1-ethoxypropyl)-1,2,4-oxadiazole
CID 116702093
5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(2-methoxybutan-2-yl)-1,2,4-oxadiazole
CID 116740462
2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-1,3-benzothiazole
CID 79528719

Frequently Asked Questions

What is the IUPAC name of 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole (CID 104880666) is 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole is Clc1cc(Cl)cc(-c2noc(C3CC4CCC3N4)n2)c1.
What is the InChIKey of 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole?
The InChIKey is MGTVFXVHIZQUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c15-8-3-7(4-9(16)5-8)13-18-14(20-19-13)11-6-10-1-2-12(11)17-10/h3-5,10-12,17H,1-2,6H2.
What are the key properties of 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole?
5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole has a molecular weight of 310.18 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 104880666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).