3-[(4-fluorosulfonyloxyphenyl)carbamoyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

C13H12FN3O5S — CID 154872188

IUPAC3-[(4-fluorosulfonyloxyphenyl)carbamoyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESO=C(Nc1ccc(OS(=O)(=O)F)cc1)c1cnn2c1OCCC2
InChIInChI=1S/C13H12FN3O5S/c14-23(19,20)22-10-4-2-9(3-5-10)16-12(18)11-8-15-17-6-1-7-21-13(11)17/h2-5,8H,1,6-7H2,(H,16,18)
InChIKeyYRVREFFXHNAKIR-UHFFFAOYSA-N
MW341.32 g/mol
LogP1.51
Rot. Bonds4

About 3-[(4-fluorosulfonyloxyphenyl)carbamoyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

3-[(4-fluorosulfonyloxyphenyl)carbamoyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 154872188) has the molecular formula C13H12FN3O5S and a molecular weight of 341.32 g/mol. Its IUPAC name is 3-[(4-fluorosulfonyloxyphenyl)carbamoyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name3-[(4-fluorosulfonyloxyphenyl)carbamoyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID154872188
Molecular FormulaC13H12FN3O5S
Molecular Weight341.32 g/mol
Exact Mass341.05
IUPAC Name3-[(4-fluorosulfonyloxyphenyl)carbamoyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESO=C(Nc1ccc(OS(=O)(=O)F)cc1)c1cnn2c1OCCC2
InChIInChI=1S/C13H12FN3O5S/c14-23(19,20)22-10-4-2-9(3-5-10)16-12(18)11-8-15-17-6-1-7-21-13(11)17/h2-5,8H,1,6-7H2,(H,16,18)
InChIKeyYRVREFFXHNAKIR-UHFFFAOYSA-N
XLogP1.51
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(4-fluorosulfonyloxyphenyl)carbamoyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-hydroxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537133
N-(4-methylsulfonylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789497
N-[4-(dimethylamino)phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537142
N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90536986
N-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537178
N-(3,5-dimethylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537177
N-[4-(tetrazol-1-yl)phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789417
N-(1H-indazol-6-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789493
N-(2,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537169
N-(3-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537265
N-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 66942371
N-[[4-(trifluoromethoxy)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789489

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorosulfonyloxyphenyl)carbamoyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of 3-[(4-fluorosulfonyloxyphenyl)carbamoyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 154872188) is 3-[(4-fluorosulfonyloxyphenyl)carbamoyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 3-[(4-fluorosulfonyloxyphenyl)carbamoyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 3-[(4-fluorosulfonyloxyphenyl)carbamoyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is O=C(Nc1ccc(OS(=O)(=O)F)cc1)c1cnn2c1OCCC2.
What is the InChIKey of 3-[(4-fluorosulfonyloxyphenyl)carbamoyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is YRVREFFXHNAKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O5S/c14-23(19,20)22-10-4-2-9(3-5-10)16-12(18)11-8-15-17-6-1-7-21-13(11)17/h2-5,8H,1,6-7H2,(H,16,18).
What are the key properties of 3-[(4-fluorosulfonyloxyphenyl)carbamoyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
3-[(4-fluorosulfonyloxyphenyl)carbamoyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 341.32 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorosulfonyloxyphenyl)carbamoyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 154872188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).