3-bromo-6-propan-2-yloxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

C9H13BrN2O2 — CID 135241252

IUPAC3-bromo-6-propan-2-yloxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCC(C)OC1COc2c(Br)cnn2C1
InChIInChI=1S/C9H13BrN2O2/c1-6(2)14-7-4-12-9(13-5-7)8(10)3-11-12/h3,6-7H,4-5H2,1-2H3
InChIKeyMDOTUVLTQSUDEN-UHFFFAOYSA-N
MW261.12 g/mol
LogP1.83
Rot. Bonds2

About 3-bromo-6-propan-2-yloxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

3-bromo-6-propan-2-yloxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 135241252) has the molecular formula C9H13BrN2O2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 3-bromo-6-propan-2-yloxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name3-bromo-6-propan-2-yloxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID135241252
Molecular FormulaC9H13BrN2O2
Molecular Weight261.12 g/mol
Exact Mass260.02
IUPAC Name3-bromo-6-propan-2-yloxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCC(C)OC1COc2c(Br)cnn2C1
InChIInChI=1S/C9H13BrN2O2/c1-6(2)14-7-4-12-9(13-5-7)8(10)3-11-12/h3,6-7H,4-5H2,1-2H3
InChIKeyMDOTUVLTQSUDEN-UHFFFAOYSA-N
XLogP1.83
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-propan-2-yloxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of 3-bromo-6-propan-2-yloxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 135241252) is 3-bromo-6-propan-2-yloxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 3-bromo-6-propan-2-yloxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 3-bromo-6-propan-2-yloxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is CC(C)OC1COc2c(Br)cnn2C1.
What is the InChIKey of 3-bromo-6-propan-2-yloxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is MDOTUVLTQSUDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2/c1-6(2)14-7-4-12-9(13-5-7)8(10)3-11-12/h3,6-7H,4-5H2,1-2H3.
What are the key properties of 3-bromo-6-propan-2-yloxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
3-bromo-6-propan-2-yloxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 261.12 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-propan-2-yloxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 135241252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).