2-(benzenesulfonyl)-1,3-oxazole

C9H7NO3S — CID 45103360

IUPAC2-(benzenesulfonyl)-1,3-oxazole
SMILESO=S(=O)(c1ccccc1)c1ncco1
InChIInChI=1S/C9H7NO3S/c11-14(12,9-10-6-7-13-9)8-4-2-1-3-5-8/h1-7H
InChIKeyBANCIZMOMPECLL-UHFFFAOYSA-N
MW209.23 g/mol
LogP1.51
Rot. Bonds2

About 2-(benzenesulfonyl)-1,3-oxazole

2-(benzenesulfonyl)-1,3-oxazole (PubChem CID 45103360) has the molecular formula C9H7NO3S and a molecular weight of 209.23 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1,3-oxazole
PubChem CID45103360
Molecular FormulaC9H7NO3S
Molecular Weight209.23 g/mol
Exact Mass209.01
IUPAC Name2-(benzenesulfonyl)-1,3-oxazole
SMILESO=S(=O)(c1ccccc1)c1ncco1
InChIInChI=1S/C9H7NO3S/c11-14(12,9-10-6-7-13-9)8-4-2-1-3-5-8/h1-7H
InChIKeyBANCIZMOMPECLL-UHFFFAOYSA-N
XLogP1.51
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Tosyl-1,3-oxazole
CID 12882620
2-Phenylsulfanyloxy-1,3-oxazole
CID 68484874
2-[(2,5-Difluorophenyl)methylsulfinyl]-1,3-oxazole
CID 67022566
2-[(2,6-Difluorophenyl)methylsulfinyl]-1,3-oxazole
CID 67022683
2-[(2,6-Difluorophenyl)methylsulfonyl]-1,3-oxazole
CID 67022707
2-[(2,5-Difluorophenyl)methylsulfonyl]-1,3-oxazole
CID 67022731
2-(4-Fluorophenyl)sulfinyl-1,3-oxazole
CID 146308017
2-(4-Fluorophenyl)sulfonyl-1,3-oxazole
CID 146308019
5-(Benzenesulfonylmethyl)-1,3-oxazole
CID 24977810
5-Bromo-2-(phenylthio)oxazole
CID 45103170
5-Iodo-2-phenylsulfonyl oxazole
CID 45103361
2-(Benzenesulfonyl)-5-prop-2-enyl-1,3-oxazole
CID 121008341

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1,3-oxazole?
The IUPAC name of 2-(benzenesulfonyl)-1,3-oxazole (CID 45103360) is 2-(benzenesulfonyl)-1,3-oxazole.
What is the SMILES notation for 2-(benzenesulfonyl)-1,3-oxazole?
The canonical SMILES for 2-(benzenesulfonyl)-1,3-oxazole is O=S(=O)(c1ccccc1)c1ncco1.
What is the InChIKey of 2-(benzenesulfonyl)-1,3-oxazole?
The InChIKey is BANCIZMOMPECLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S/c11-14(12,9-10-6-7-13-9)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2-(benzenesulfonyl)-1,3-oxazole?
2-(benzenesulfonyl)-1,3-oxazole has a molecular weight of 209.23 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1,3-oxazole is sourced from PubChem (CID 45103360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).