3-(1H-pyrazol-5-ylsulfonyl)-1,2-oxazole

C6H5N3O3S — CID 174697142

IUPAC3-(1H-pyrazol-5-ylsulfonyl)-1,2-oxazole
SMILESO=S(=O)(c1ccon1)c1ccn[nH]1
InChIInChI=1S/C6H5N3O3S/c10-13(11,5-1-3-7-8-5)6-2-4-12-9-6/h1-4H,(H,7,8)
InChIKeySAYVSNHGSMLZIV-UHFFFAOYSA-N
MW199.19 g/mol
LogP0.23
Rot. Bonds2

About 3-(1H-pyrazol-5-ylsulfonyl)-1,2-oxazole

3-(1H-pyrazol-5-ylsulfonyl)-1,2-oxazole (PubChem CID 174697142) has the molecular formula C6H5N3O3S and a molecular weight of 199.19 g/mol. Its IUPAC name is 3-(1H-pyrazol-5-ylsulfonyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(1H-pyrazol-5-ylsulfonyl)-1,2-oxazole
PubChem CID174697142
Molecular FormulaC6H5N3O3S
Molecular Weight199.19 g/mol
Exact Mass199.01
IUPAC Name3-(1H-pyrazol-5-ylsulfonyl)-1,2-oxazole
SMILESO=S(=O)(c1ccon1)c1ccn[nH]1
InChIInChI=1S/C6H5N3O3S/c10-13(11,5-1-3-7-8-5)6-2-4-12-9-6/h1-4H,(H,7,8)
InChIKeySAYVSNHGSMLZIV-UHFFFAOYSA-N
XLogP0.23
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(trifluoromethylsulfonyl)-1H-pyrazole
CID 54057584
1,2-oxazol-3-ylsulfonyl acetate
CID 175097891
N-diazo-1H-pyrazole-5-sulfonamide
CID 102693481
N-(4-methyl-1,3-oxazol-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693424
N-(4-tert-butylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691460
N-(1-aminopropan-2-yl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 102690466
N-prop-2-enyl-1H-pyrazole-5-sulfonamide
CID 102690992
N-[4-(methylamino)phenyl]-1H-pyrazole-5-sulfonamide
CID 102693540
2-(1H-pyrazol-5-ylsulfonylamino)acetic acid
CID 102690627
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 102692815
N-(4-amino-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102694134
N-(3,5-difluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691589

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-5-ylsulfonyl)-1,2-oxazole?
The IUPAC name of 3-(1H-pyrazol-5-ylsulfonyl)-1,2-oxazole (CID 174697142) is 3-(1H-pyrazol-5-ylsulfonyl)-1,2-oxazole.
What is the SMILES notation for 3-(1H-pyrazol-5-ylsulfonyl)-1,2-oxazole?
The canonical SMILES for 3-(1H-pyrazol-5-ylsulfonyl)-1,2-oxazole is O=S(=O)(c1ccon1)c1ccn[nH]1.
What is the InChIKey of 3-(1H-pyrazol-5-ylsulfonyl)-1,2-oxazole?
The InChIKey is SAYVSNHGSMLZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O3S/c10-13(11,5-1-3-7-8-5)6-2-4-12-9-6/h1-4H,(H,7,8).
What are the key properties of 3-(1H-pyrazol-5-ylsulfonyl)-1,2-oxazole?
3-(1H-pyrazol-5-ylsulfonyl)-1,2-oxazole has a molecular weight of 199.19 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-5-ylsulfonyl)-1,2-oxazole is sourced from PubChem (CID 174697142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).