3-(azepan-2-yl)-5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazole

C16H23N3O — CID 103972198

IUPAC3-(azepan-2-yl)-5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazole
SMILESC1CCNC(c2noc(C3C4C5CCC(C5)C34)n2)CC1
InChIInChI=1S/C16H23N3O/c1-2-4-11(17-7-3-1)15-18-16(20-19-15)14-12-9-5-6-10(8-9)13(12)14/h9-14,17H,1-8H2
InChIKeyFBPLPZGAKWMTLS-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.03
Rot. Bonds2

About 3-(azepan-2-yl)-5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazole

3-(azepan-2-yl)-5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazole (PubChem CID 103972198) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(azepan-2-yl)-5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(azepan-2-yl)-5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazole
PubChem CID103972198
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-(azepan-2-yl)-5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazole
SMILESC1CCNC(c2noc(C3C4C5CCC(C5)C34)n2)CC1
InChIInChI=1S/C16H23N3O/c1-2-4-11(17-7-3-1)15-18-16(20-19-15)14-12-9-5-6-10(8-9)13(12)14/h9-14,17H,1-8H2
InChIKeyFBPLPZGAKWMTLS-UHFFFAOYSA-N
XLogP3.03
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(azepan-2-yl)-5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-cyclodecyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 123446995
3-(2-methylcyclopropyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915001
3-cyclobutyl-5-piperidin-2-yl-1,2,4-oxadiazole
CID 64982229
3-cyclobutyl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 69188046
5-(azocan-2-yl)-3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole
CID 114239832
3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93357418
5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 54592757
5-(1-methylcyclohexyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 106828730
3-(azepan-2-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 84688673
3-(2-methylcyclopropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900655
5-(1-ethylpiperidin-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 115078014
5-(azepan-2-yl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole
CID 65413684

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-2-yl)-5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(azepan-2-yl)-5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazole (CID 103972198) is 3-(azepan-2-yl)-5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(azepan-2-yl)-5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(azepan-2-yl)-5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazole is C1CCNC(c2noc(C3C4C5CCC(C5)C34)n2)CC1.
What is the InChIKey of 3-(azepan-2-yl)-5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazole?
The InChIKey is FBPLPZGAKWMTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-4-11(17-7-3-1)15-18-16(20-19-15)14-12-9-5-6-10(8-9)13(12)14/h9-14,17H,1-8H2.
What are the key properties of 3-(azepan-2-yl)-5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazole?
3-(azepan-2-yl)-5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazole has a molecular weight of 273.38 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-2-yl)-5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazole is sourced from PubChem (CID 103972198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).