3-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazol-2-yl]-10H-phenoxazine

C21H21N5O2 — CID 21100119

IUPAC3-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazol-2-yl]-10H-phenoxazine
SMILESc1ccc2c(c1)Nc1ccc(-c3nnc(N4CCN5CCC4CC5)o3)cc1O2
InChIInChI=1S/C21H21N5O2/c1-2-4-18-16(3-1)22-17-6-5-14(13-19(17)27-18)20-23-24-21(28-20)26-12-11-25-9-7-15(26)8-10-25/h1-6,13,15,22H,7-12H2
InChIKeyWZGSOOOMOCSCNZ-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.87
Rot. Bonds2

About 3-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazol-2-yl]-10H-phenoxazine

3-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazol-2-yl]-10H-phenoxazine (PubChem CID 21100119) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazol-2-yl]-10H-phenoxazine.

Molecular Properties

Compound Name3-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazol-2-yl]-10H-phenoxazine
PubChem CID21100119
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name3-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazol-2-yl]-10H-phenoxazine
SMILESc1ccc2c(c1)Nc1ccc(-c3nnc(N4CCN5CCC4CC5)o3)cc1O2
InChIInChI=1S/C21H21N5O2/c1-2-4-18-16(3-1)22-17-6-5-14(13-19(17)27-18)20-23-24-21(28-20)26-12-11-25-9-7-15(26)8-10-25/h1-6,13,15,22H,7-12H2
InChIKeyWZGSOOOMOCSCNZ-UHFFFAOYSA-N
XLogP3.87
TPSA66.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazol-2-yl]-10H-phenoxazine with MolForge

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Related Compounds

2-(4-chlorophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole
CID 10040739
2-(4-bromophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole;hydrochloride
CID 67281212
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-indolizin-2-yl-1,3,4-oxadiazole
CID 21100095
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole
CID 135516669
(E)-but-2-enedioic acid;2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole
CID 159200629
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-quinolin-2-yl-1,3,4-oxadiazole
CID 21100103
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3,4-oxadiazole
CID 10332869
2-(5-bromofuran-2-yl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole
CID 23624273
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-[1-((18F)fluoromethyl)pyrrol-2-yl]-1,3,4-oxadiazole
CID 66575408
2-[6-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazol-2-yl]indol-1-yl]ethyl 4-methylbenzenesulfonate
CID 132514496
(E)-but-2-enedioic acid;2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-[1-(2-fluoroethyl)indol-6-yl]-1,3,4-oxadiazole
CID 66628548
4'-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]spiro[1,3-dioxepine-2,2'-1,4-diazabicyclo[3.2.2]nonane]-4,7-dione
CID 141276389

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazol-2-yl]-10H-phenoxazine?
The IUPAC name of 3-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazol-2-yl]-10H-phenoxazine (CID 21100119) is 3-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazol-2-yl]-10H-phenoxazine.
What is the SMILES notation for 3-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazol-2-yl]-10H-phenoxazine?
The canonical SMILES for 3-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazol-2-yl]-10H-phenoxazine is c1ccc2c(c1)Nc1ccc(-c3nnc(N4CCN5CCC4CC5)o3)cc1O2.
What is the InChIKey of 3-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazol-2-yl]-10H-phenoxazine?
The InChIKey is WZGSOOOMOCSCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-2-4-18-16(3-1)22-17-6-5-14(13-19(17)27-18)20-23-24-21(28-20)26-12-11-25-9-7-15(26)8-10-25/h1-6,13,15,22H,7-12H2.
What are the key properties of 3-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazol-2-yl]-10H-phenoxazine?
3-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazol-2-yl]-10H-phenoxazine has a molecular weight of 375.43 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazol-2-yl]-10H-phenoxazine is sourced from PubChem (CID 21100119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).