3-(5-bromo-2-pyridinyl)-5-[(1R,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]-1,2,4-oxadiazole

C15H14BrN3O2 — CID 167765873

IUPAC3-(5-bromo-2-pyridinyl)-5-[(1R,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]-1,2,4-oxadiazole
SMILESBrc1ccc(-c2noc([C@]34C[C@H]3COC43CCC3)n2)nc1
InChIInChI=1S/C15H14BrN3O2/c16-10-2-3-11(17-7-10)12-18-13(21-19-12)15-6-9(15)8-20-14(15)4-1-5-14/h2-3,7,9H,1,4-6,8H2/t9-,15-/m0/s1
InChIKeyKGDXHHRLVUEZQH-VFZGTOFNSA-N
MW348.20 g/mol
LogP3.10
Rot. Bonds2

About 3-(5-bromo-2-pyridinyl)-5-[(1R,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]-1,2,4-oxadiazole

3-(5-bromo-2-pyridinyl)-5-[(1R,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]-1,2,4-oxadiazole (PubChem CID 167765873) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-5-[(1R,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-5-[(1R,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]-1,2,4-oxadiazole
PubChem CID167765873
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name3-(5-bromo-2-pyridinyl)-5-[(1R,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]-1,2,4-oxadiazole
SMILESBrc1ccc(-c2noc([C@]34C[C@H]3COC43CCC3)n2)nc1
InChIInChI=1S/C15H14BrN3O2/c16-10-2-3-11(17-7-10)12-18-13(21-19-12)15-6-9(15)8-20-14(15)4-1-5-14/h2-3,7,9H,1,4-6,8H2/t9-,15-/m0/s1
InChIKeyKGDXHHRLVUEZQH-VFZGTOFNSA-N
XLogP3.10
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(5-bromo-2-pyridinyl)-5-[(1R,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(5-bromo-2-pyridinyl)-5-methyl-1,2,4-oxadiazole
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2-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylic acid
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CID 104963101
N-[[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine
CID 113398106
5-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811738
2-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclopentane-1-carboxylic acid
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(3R,5R)-5-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
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5-bromo-2-[10-(5-bromo-2-pyridinyl)anthracen-9-yl]pyridine
CID 88894608
1-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)-5-[(1R,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-5-[(1R,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]-1,2,4-oxadiazole (CID 167765873) is 3-(5-bromo-2-pyridinyl)-5-[(1R,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-5-[(1R,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-5-[(1R,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]-1,2,4-oxadiazole is Brc1ccc(-c2noc([C@]34C[C@H]3COC43CCC3)n2)nc1.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-5-[(1R,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]-1,2,4-oxadiazole?
The InChIKey is KGDXHHRLVUEZQH-VFZGTOFNSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c16-10-2-3-11(17-7-10)12-18-13(21-19-12)15-6-9(15)8-20-14(15)4-1-5-14/h2-3,7,9H,1,4-6,8H2/t9-,15-/m0/s1.
What are the key properties of 3-(5-bromo-2-pyridinyl)-5-[(1R,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]-1,2,4-oxadiazole?
3-(5-bromo-2-pyridinyl)-5-[(1R,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]-1,2,4-oxadiazole has a molecular weight of 348.20 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-pyridinyl)-5-[(1R,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 167765873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).