(3-bromo-1,2-oxazol-5-yl)-(3,6-diazabicyclo[3.2.0]heptan-3-yl)methanone

C9H10BrN3O2 — CID 25072921

IUPAC(3-bromo-1,2-oxazol-5-yl)-(3,6-diazabicyclo[3.2.0]heptan-3-yl)methanone
SMILESO=C(c1cc(Br)no1)N1CC2CNC2C1
InChIInChI=1S/C9H10BrN3O2/c10-8-1-7(15-12-8)9(14)13-3-5-2-11-6(5)4-13/h1,5-6,11H,2-4H2
InChIKeyKFNDHXGTFGJZDQ-UHFFFAOYSA-N
MW272.10 g/mol
LogP0.48
Rot. Bonds1

About (3-bromo-1,2-oxazol-5-yl)-(3,6-diazabicyclo[3.2.0]heptan-3-yl)methanone

(3-bromo-1,2-oxazol-5-yl)-(3,6-diazabicyclo[3.2.0]heptan-3-yl)methanone (PubChem CID 25072921) has the molecular formula C9H10BrN3O2 and a molecular weight of 272.10 g/mol. Its IUPAC name is (3-bromo-1,2-oxazol-5-yl)-(3,6-diazabicyclo[3.2.0]heptan-3-yl)methanone.

Molecular Properties

Compound Name(3-bromo-1,2-oxazol-5-yl)-(3,6-diazabicyclo[3.2.0]heptan-3-yl)methanone
PubChem CID25072921
Molecular FormulaC9H10BrN3O2
Molecular Weight272.10 g/mol
Exact Mass271.00
IUPAC Name(3-bromo-1,2-oxazol-5-yl)-(3,6-diazabicyclo[3.2.0]heptan-3-yl)methanone
SMILESO=C(c1cc(Br)no1)N1CC2CNC2C1
InChIInChI=1S/C9H10BrN3O2/c10-8-1-7(15-12-8)9(14)13-3-5-2-11-6(5)4-13/h1,5-6,11H,2-4H2
InChIKeyKFNDHXGTFGJZDQ-UHFFFAOYSA-N
XLogP0.48
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-1,2-oxazol-5-yl)-(3,6-diazabicyclo[3.2.0]heptan-3-yl)methanone?
The IUPAC name of (3-bromo-1,2-oxazol-5-yl)-(3,6-diazabicyclo[3.2.0]heptan-3-yl)methanone (CID 25072921) is (3-bromo-1,2-oxazol-5-yl)-(3,6-diazabicyclo[3.2.0]heptan-3-yl)methanone.
What is the SMILES notation for (3-bromo-1,2-oxazol-5-yl)-(3,6-diazabicyclo[3.2.0]heptan-3-yl)methanone?
The canonical SMILES for (3-bromo-1,2-oxazol-5-yl)-(3,6-diazabicyclo[3.2.0]heptan-3-yl)methanone is O=C(c1cc(Br)no1)N1CC2CNC2C1.
What is the InChIKey of (3-bromo-1,2-oxazol-5-yl)-(3,6-diazabicyclo[3.2.0]heptan-3-yl)methanone?
The InChIKey is KFNDHXGTFGJZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2/c10-8-1-7(15-12-8)9(14)13-3-5-2-11-6(5)4-13/h1,5-6,11H,2-4H2.
What are the key properties of (3-bromo-1,2-oxazol-5-yl)-(3,6-diazabicyclo[3.2.0]heptan-3-yl)methanone?
(3-bromo-1,2-oxazol-5-yl)-(3,6-diazabicyclo[3.2.0]heptan-3-yl)methanone has a molecular weight of 272.10 g/mol, XLogP of 0.48, 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)-(3,6-diazabicyclo[3.2.0]heptan-3-yl)methanone is sourced from PubChem (CID 25072921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).