3-(1,3-benzoxazol-2-yl)-1-azabicyclo[2.2.2]octan-3-ol

C14H16N2O2 — CID 10105880

IUPAC3-(1,3-benzoxazol-2-yl)-1-azabicyclo[2.2.2]octan-3-ol
SMILESOC1(c2nc3ccccc3o2)CN2CCC1CC2
InChIInChI=1S/C14H16N2O2/c17-14(9-16-7-5-10(14)6-8-16)13-15-11-3-1-2-4-12(11)18-13/h1-4,10,17H,5-9H2
InChIKeyPHIWWVQJDXZJTI-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.74
Rot. Bonds1

About 3-(1,3-benzoxazol-2-yl)-1-azabicyclo[2.2.2]octan-3-ol

3-(1,3-benzoxazol-2-yl)-1-azabicyclo[2.2.2]octan-3-ol (PubChem CID 10105880) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-1-azabicyclo[2.2.2]octan-3-ol.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-1-azabicyclo[2.2.2]octan-3-ol
PubChem CID10105880
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-(1,3-benzoxazol-2-yl)-1-azabicyclo[2.2.2]octan-3-ol
SMILESOC1(c2nc3ccccc3o2)CN2CCC1CC2
InChIInChI=1S/C14H16N2O2/c17-14(9-16-7-5-10(14)6-8-16)13-15-11-3-1-2-4-12(11)18-13/h1-4,10,17H,5-9H2
InChIKeyPHIWWVQJDXZJTI-UHFFFAOYSA-N
XLogP1.74
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1,3-benzoxazol-2-yl)-1-azabicyclo[2.2.2]octan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(furan-3-yl)-1-azabicyclo[2.2.2]octan-3-ol
CID 15196231
2-(7-bicyclo[4.1.0]heptanyl)-1,3-benzoxazole
CID 122234958
[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methanol
CID 22220871
[1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]methanol
CID 62371883
1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 34581496
1-(1,3-benzoxazol-2-yl)cyclohexan-1-amine
CID 61290076
(3S)-spiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole]
CID 121320376
1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol
CID 106673452
[1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 62015900
2-[10-[4-[2-[4-[10-(1,3-benzoxazol-2-yl)anthracen-9-yl]phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]anthracen-9-yl]-1,3-benzoxazole
CID 23517834
3-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-ol
CID 12938005
N-[4-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)phenyl]benzamide
CID 23198334

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-1-azabicyclo[2.2.2]octan-3-ol?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)-1-azabicyclo[2.2.2]octan-3-ol (CID 10105880) is 3-(1,3-benzoxazol-2-yl)-1-azabicyclo[2.2.2]octan-3-ol.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-1-azabicyclo[2.2.2]octan-3-ol?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-1-azabicyclo[2.2.2]octan-3-ol is OC1(c2nc3ccccc3o2)CN2CCC1CC2.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-1-azabicyclo[2.2.2]octan-3-ol?
The InChIKey is PHIWWVQJDXZJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-14(9-16-7-5-10(14)6-8-16)13-15-11-3-1-2-4-12(11)18-13/h1-4,10,17H,5-9H2.
What are the key properties of 3-(1,3-benzoxazol-2-yl)-1-azabicyclo[2.2.2]octan-3-ol?
3-(1,3-benzoxazol-2-yl)-1-azabicyclo[2.2.2]octan-3-ol has a molecular weight of 244.29 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)-1-azabicyclo[2.2.2]octan-3-ol is sourced from PubChem (CID 10105880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).