3-bromo-5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole

C11H9BrN2O2 — CID 112571434

IUPAC3-bromo-5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole
SMILESBrc1noc(C2CCOc3ccccc32)n1
InChIInChI=1S/C11H9BrN2O2/c12-11-13-10(16-14-11)8-5-6-15-9-4-2-1-3-7(8)9/h1-4,8H,5-6H2
InChIKeyAMOJWWPCZBMLBO-UHFFFAOYSA-N
MW281.11 g/mol
LogP2.75
Rot. Bonds1

About 3-bromo-5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole

3-bromo-5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole (PubChem CID 112571434) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is 3-bromo-5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-bromo-5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole
PubChem CID112571434
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC Name3-bromo-5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole
SMILESBrc1noc(C2CCOc3ccccc32)n1
InChIInChI=1S/C11H9BrN2O2/c12-11-13-10(16-14-11)8-5-6-15-9-4-2-1-3-7(8)9/h1-4,8H,5-6H2
InChIKeyAMOJWWPCZBMLBO-UHFFFAOYSA-N
XLogP2.75
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-chloroethyl)-5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole
CID 102660966
1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 63710487
5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
CID 97011260
1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096385
3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine
CID 65406401
3-(benzimidazol-1-ylmethyl)-5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole
CID 100675712
3-(3,4-dihydro-2H-chromen-4-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914990
3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65405097
5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-4-amine
CID 66298443
2-(2-chloroethyl)-5-(3,4-dihydro-2H-chromen-4-yl)-1,3,4-oxadiazole
CID 63709734
3-cyclopropyl-5-(3,4-dihydro-2H-chromen-4-yl)-1H-1,2,4-triazole
CID 55227631
3-(3,4-dihydro-2H-chromen-4-yl)-2H-1,2,4-oxadiazole-5-thione
CID 65405652

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-bromo-5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole (CID 112571434) is 3-bromo-5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-bromo-5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-bromo-5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole is Brc1noc(C2CCOc3ccccc32)n1.
What is the InChIKey of 3-bromo-5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole?
The InChIKey is AMOJWWPCZBMLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c12-11-13-10(16-14-11)8-5-6-15-9-4-2-1-3-7(8)9/h1-4,8H,5-6H2.
What are the key properties of 3-bromo-5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole?
3-bromo-5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole has a molecular weight of 281.11 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 112571434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).