(3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)carbamic acid

C7H8BrN3O3 — CID 135240961

IUPAC(3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)carbamic acid
SMILESO=C(O)NC1COc2c(Br)cnn2C1
InChIInChI=1S/C7H8BrN3O3/c8-5-1-9-11-2-4(10-7(12)13)3-14-6(5)11/h1,4,10H,2-3H2,(H,12,13)
InChIKeyRPICNTMIHIBCCO-UHFFFAOYSA-N
MW262.06 g/mol
LogP0.67
Rot. Bonds1

About (3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)carbamic acid

(3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)carbamic acid (PubChem CID 135240961) has the molecular formula C7H8BrN3O3 and a molecular weight of 262.06 g/mol. Its IUPAC name is (3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)carbamic acid.

Molecular Properties

Compound Name(3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)carbamic acid
PubChem CID135240961
Molecular FormulaC7H8BrN3O3
Molecular Weight262.06 g/mol
Exact Mass260.97
IUPAC Name(3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)carbamic acid
SMILESO=C(O)NC1COc2c(Br)cnn2C1
InChIInChI=1S/C7H8BrN3O3/c8-5-1-9-11-2-4(10-7(12)13)3-14-6(5)11/h1,4,10H,2-3H2,(H,12,13)
InChIKeyRPICNTMIHIBCCO-UHFFFAOYSA-N
XLogP0.67
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.06
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)carbamic acid?
The IUPAC name of (3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)carbamic acid (CID 135240961) is (3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)carbamic acid.
What is the SMILES notation for (3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)carbamic acid?
The canonical SMILES for (3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)carbamic acid is O=C(O)NC1COc2c(Br)cnn2C1.
What is the InChIKey of (3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)carbamic acid?
The InChIKey is RPICNTMIHIBCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O3/c8-5-1-9-11-2-4(10-7(12)13)3-14-6(5)11/h1,4,10H,2-3H2,(H,12,13).
What are the key properties of (3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)carbamic acid?
(3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)carbamic acid has a molecular weight of 262.06 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)carbamic acid is sourced from PubChem (CID 135240961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).