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

C14H22N4O — CID 116808055

IUPAC5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(azepan-1-yl)-1,2,4-oxadiazole
SMILESC1CCCN(c2noc(C3CC4CCC3N4)n2)CC1
InChIInChI=1S/C14H22N4O/c1-2-4-8-18(7-3-1)14-16-13(19-17-14)11-9-10-5-6-12(11)15-10/h10-12,15H,1-9H2
InChIKeyPKWUBZWPHMMDOX-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.06
Rot. Bonds2

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

5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(azepan-1-yl)-1,2,4-oxadiazole (PubChem CID 116808055) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(azepan-1-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(azepan-1-yl)-1,2,4-oxadiazole
PubChem CID116808055
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(azepan-1-yl)-1,2,4-oxadiazole
SMILESC1CCCN(c2noc(C3CC4CCC3N4)n2)CC1
InChIInChI=1S/C14H22N4O/c1-2-4-8-18(7-3-1)14-16-13(19-17-14)11-9-10-5-6-12(11)15-10/h10-12,15H,1-9H2
InChIKeyPKWUBZWPHMMDOX-UHFFFAOYSA-N
XLogP2.06
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 116806784
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 116806534
3-piperidin-1-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915206
3-(azepan-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743714
5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole
CID 104880666
3-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-3-yl]thiolane 1,1-dioxide
CID 115335846
3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid
CID 103552158
5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(1-ethoxypropyl)-1,2,4-oxadiazole
CID 116702093
2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]morpholine
CID 116807932
4-[5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 116807491
N-ethyl-4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
CID 116809201
3-(azepan-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 116808059

Frequently Asked Questions

What is the IUPAC name of 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(azepan-1-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(azepan-1-yl)-1,2,4-oxadiazole (CID 116808055) is 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(azepan-1-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(azepan-1-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(azepan-1-yl)-1,2,4-oxadiazole is C1CCCN(c2noc(C3CC4CCC3N4)n2)CC1.
What is the InChIKey of 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(azepan-1-yl)-1,2,4-oxadiazole?
The InChIKey is PKWUBZWPHMMDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-4-8-18(7-3-1)14-16-13(19-17-14)11-9-10-5-6-12(11)15-10/h10-12,15H,1-9H2.
What are the key properties of 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(azepan-1-yl)-1,2,4-oxadiazole?
5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(azepan-1-yl)-1,2,4-oxadiazole has a molecular weight of 262.36 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(azepan-1-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 116808055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).