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

C9H12BrN3O3 — CID 135242303

IUPAC(3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl-methylcarbamic acid
SMILESCN(CC1COc2c(Br)cnn2C1)C(=O)O
InChIInChI=1S/C9H12BrN3O3/c1-12(9(14)15)3-6-4-13-8(16-5-6)7(10)2-11-13/h2,6H,3-5H2,1H3,(H,14,15)
InChIKeyIGMAONYPVZTSJN-UHFFFAOYSA-N
MW290.12 g/mol
LogP1.26
Rot. Bonds2

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

(3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl-methylcarbamic acid (PubChem CID 135242303) has the molecular formula C9H12BrN3O3 and a molecular weight of 290.12 g/mol. Its IUPAC name is (3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl-methylcarbamic acid.

Molecular Properties

Compound Name(3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl-methylcarbamic acid
PubChem CID135242303
Molecular FormulaC9H12BrN3O3
Molecular Weight290.12 g/mol
Exact Mass289.01
IUPAC Name(3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl-methylcarbamic acid
SMILESCN(CC1COc2c(Br)cnn2C1)C(=O)O
InChIInChI=1S/C9H12BrN3O3/c1-12(9(14)15)3-6-4-13-8(16-5-6)7(10)2-11-13/h2,6H,3-5H2,1H3,(H,14,15)
InChIKeyIGMAONYPVZTSJN-UHFFFAOYSA-N
XLogP1.26
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl-methylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl-methylcarbamic acid?
The IUPAC name of (3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl-methylcarbamic acid (CID 135242303) is (3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl-methylcarbamic acid.
What is the SMILES notation for (3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl-methylcarbamic acid?
The canonical SMILES for (3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl-methylcarbamic acid is CN(CC1COc2c(Br)cnn2C1)C(=O)O.
What is the InChIKey of (3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl-methylcarbamic acid?
The InChIKey is IGMAONYPVZTSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O3/c1-12(9(14)15)3-6-4-13-8(16-5-6)7(10)2-11-13/h2,6H,3-5H2,1H3,(H,14,15).
What are the key properties of (3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl-methylcarbamic acid?
(3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl-methylcarbamic acid has a molecular weight of 290.12 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 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)methyl-methylcarbamic acid is sourced from PubChem (CID 135242303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).