(3-bromo-1,2-oxazol-5-yl)-(2,7-diazabicyclo[4.2.0]octan-7-yl)methanone

C10H12BrN3O2 — CID 68603106

IUPAC(3-bromo-1,2-oxazol-5-yl)-(2,7-diazabicyclo[4.2.0]octan-7-yl)methanone
SMILESO=C(c1cc(Br)no1)N1CC2NCCCC21
InChIInChI=1S/C10H12BrN3O2/c11-9-4-8(16-13-9)10(15)14-5-6-7(14)2-1-3-12-6/h4,6-7,12H,1-3,5H2
InChIKeyFOVFZNOZMAVQLX-UHFFFAOYSA-N
MW286.13 g/mol
LogP1.01
Rot. Bonds1

About (3-bromo-1,2-oxazol-5-yl)-(2,7-diazabicyclo[4.2.0]octan-7-yl)methanone

(3-bromo-1,2-oxazol-5-yl)-(2,7-diazabicyclo[4.2.0]octan-7-yl)methanone (PubChem CID 68603106) has the molecular formula C10H12BrN3O2 and a molecular weight of 286.13 g/mol. Its IUPAC name is (3-bromo-1,2-oxazol-5-yl)-(2,7-diazabicyclo[4.2.0]octan-7-yl)methanone.

Molecular Properties

Compound Name(3-bromo-1,2-oxazol-5-yl)-(2,7-diazabicyclo[4.2.0]octan-7-yl)methanone
PubChem CID68603106
Molecular FormulaC10H12BrN3O2
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name(3-bromo-1,2-oxazol-5-yl)-(2,7-diazabicyclo[4.2.0]octan-7-yl)methanone
SMILESO=C(c1cc(Br)no1)N1CC2NCCCC21
InChIInChI=1S/C10H12BrN3O2/c11-9-4-8(16-13-9)10(15)14-5-6-7(14)2-1-3-12-6/h4,6-7,12H,1-3,5H2
InChIKeyFOVFZNOZMAVQLX-UHFFFAOYSA-N
XLogP1.01
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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CID 25071667
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CID 25072922

Frequently Asked Questions

What is the IUPAC name of (3-bromo-1,2-oxazol-5-yl)-(2,7-diazabicyclo[4.2.0]octan-7-yl)methanone?
The IUPAC name of (3-bromo-1,2-oxazol-5-yl)-(2,7-diazabicyclo[4.2.0]octan-7-yl)methanone (CID 68603106) is (3-bromo-1,2-oxazol-5-yl)-(2,7-diazabicyclo[4.2.0]octan-7-yl)methanone.
What is the SMILES notation for (3-bromo-1,2-oxazol-5-yl)-(2,7-diazabicyclo[4.2.0]octan-7-yl)methanone?
The canonical SMILES for (3-bromo-1,2-oxazol-5-yl)-(2,7-diazabicyclo[4.2.0]octan-7-yl)methanone is O=C(c1cc(Br)no1)N1CC2NCCCC21.
What is the InChIKey of (3-bromo-1,2-oxazol-5-yl)-(2,7-diazabicyclo[4.2.0]octan-7-yl)methanone?
The InChIKey is FOVFZNOZMAVQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2/c11-9-4-8(16-13-9)10(15)14-5-6-7(14)2-1-3-12-6/h4,6-7,12H,1-3,5H2.
What are the key properties of (3-bromo-1,2-oxazol-5-yl)-(2,7-diazabicyclo[4.2.0]octan-7-yl)methanone?
(3-bromo-1,2-oxazol-5-yl)-(2,7-diazabicyclo[4.2.0]octan-7-yl)methanone has a molecular weight of 286.13 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-1,2-oxazol-5-yl)-(2,7-diazabicyclo[4.2.0]octan-7-yl)methanone is sourced from PubChem (CID 68603106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).