3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol

C16H19N3O2 — CID 70182470

IUPAC3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol
SMILESCc1noc(-c2ccc(C3(O)CN4CCC3CC4)cc2)n1
InChIInChI=1S/C16H19N3O2/c1-11-17-15(21-18-11)12-2-4-13(5-3-12)16(20)10-19-8-6-14(16)7-9-19/h2-5,14,20H,6-10H2,1H3
InChIKeyYQSKBILKAVDFMH-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.96
Rot. Bonds2

About 3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol

3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol (PubChem CID 70182470) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol.

Molecular Properties

Compound Name3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol
PubChem CID70182470
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol
SMILESCc1noc(-c2ccc(C3(O)CN4CCC3CC4)cc2)n1
InChIInChI=1S/C16H19N3O2/c1-11-17-15(21-18-11)12-2-4-13(5-3-12)16(20)10-19-8-6-14(16)7-9-19/h2-5,14,20H,6-10H2,1H3
InChIKeyYQSKBILKAVDFMH-UHFFFAOYSA-N
XLogP1.96
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol with MolForge

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Related Compounds

3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.2]octan-3-ol
CID 21476648
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-azabicyclo[2.2.2]octan-3-ol
CID 19802584
4-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
CID 3692407
3-methyl-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 91136063
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-ol
CID 56769826
5-[4-(cyclopropylmethoxy)phenyl]-3-methyl-1,2,4-oxadiazole
CID 91283745
5-[4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]-3-methyl-1,2,4-oxadiazole
CID 71271824
[2-(2-hydroxyethyl)piperidin-1-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 110886981
3-methyl-5-pyridin-4-yl-1,2,4-oxadiazole
CID 21025706
[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 39581438
N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 82468711
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine
CID 56686570

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol?
The IUPAC name of 3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol (CID 70182470) is 3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol.
What is the SMILES notation for 3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol?
The canonical SMILES for 3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol is Cc1noc(-c2ccc(C3(O)CN4CCC3CC4)cc2)n1.
What is the InChIKey of 3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol?
The InChIKey is YQSKBILKAVDFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-17-15(21-18-11)12-2-4-13(5-3-12)16(20)10-19-8-6-14(16)7-9-19/h2-5,14,20H,6-10H2,1H3.
What are the key properties of 3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol?
3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol has a molecular weight of 285.35 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol is sourced from PubChem (CID 70182470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).