5-(ethylsulfonylmethyl)-1,3-oxazole

C6H9NO3S — CID 117192206

IUPAC5-(ethylsulfonylmethyl)-1,3-oxazole
SMILESCCS(=O)(=O)Cc1cnco1
InChIInChI=1S/C6H9NO3S/c1-2-11(8,9)4-6-3-7-5-10-6/h3,5H,2,4H2,1H3
InChIKeyRCNWDDPZTDODIV-UHFFFAOYSA-N
MW175.21 g/mol
LogP0.61
Rot. Bonds3

About 5-(ethylsulfonylmethyl)-1,3-oxazole

5-(ethylsulfonylmethyl)-1,3-oxazole (PubChem CID 117192206) has the molecular formula C6H9NO3S and a molecular weight of 175.21 g/mol. Its IUPAC name is 5-(ethylsulfonylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(ethylsulfonylmethyl)-1,3-oxazole
PubChem CID117192206
Molecular FormulaC6H9NO3S
Molecular Weight175.21 g/mol
Exact Mass175.03
IUPAC Name5-(ethylsulfonylmethyl)-1,3-oxazole
SMILESCCS(=O)(=O)Cc1cnco1
InChIInChI=1S/C6H9NO3S/c1-2-11(8,9)4-6-3-7-5-10-6/h3,5H,2,4H2,1H3
InChIKeyRCNWDDPZTDODIV-UHFFFAOYSA-N
XLogP0.61
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;5-ethyl-1,3-oxazole
CID 142253106
5-butyl-1,3-oxazole
CID 18000835
N-methyl-N-(1,3-oxazol-5-ylmethyl)hydroxylamine
CID 82593723
2-methyl-1-(1,3-oxazol-5-yl)propan-2-amine
CID 82594169
N-(1,3-oxazol-5-ylmethyl)propan-2-amine
CID 58786923
N-(1,3-oxazol-5-ylmethyl)formamide
CID 156816044
5-ethoxy-1,3-oxazole;phosphane
CID 160995781
5-(2-propan-2-yloxyethyl)-1,3-oxazole
CID 58170162
N-[3-(1,3-oxazol-5-yl)propyl]acetamide
CID 143004057
5-methyl-1,3-oxazole
CID 143294178
5-(tetrazol-1-ylmethyl)-1,3-oxazole
CID 19771040
5-(6,6-dimethylheptyl)-1,3-oxazole
CID 59842159

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfonylmethyl)-1,3-oxazole?
The IUPAC name of 5-(ethylsulfonylmethyl)-1,3-oxazole (CID 117192206) is 5-(ethylsulfonylmethyl)-1,3-oxazole.
What is the SMILES notation for 5-(ethylsulfonylmethyl)-1,3-oxazole?
The canonical SMILES for 5-(ethylsulfonylmethyl)-1,3-oxazole is CCS(=O)(=O)Cc1cnco1.
What is the InChIKey of 5-(ethylsulfonylmethyl)-1,3-oxazole?
The InChIKey is RCNWDDPZTDODIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3S/c1-2-11(8,9)4-6-3-7-5-10-6/h3,5H,2,4H2,1H3.
What are the key properties of 5-(ethylsulfonylmethyl)-1,3-oxazole?
5-(ethylsulfonylmethyl)-1,3-oxazole has a molecular weight of 175.21 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfonylmethyl)-1,3-oxazole is sourced from PubChem (CID 117192206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).