5-methyl-3-[[(2S)-2-methylbutyl]sulfonylmethyl]-1,2-oxazole

C10H17NO3S — CID 97053996

IUPAC5-methyl-3-[[(2S)-2-methylbutyl]sulfonylmethyl]-1,2-oxazole
SMILESCC[C@H](C)CS(=O)(=O)Cc1cc(C)on1
InChIInChI=1S/C10H17NO3S/c1-4-8(2)6-15(12,13)7-10-5-9(3)14-11-10/h5,8H,4,6-7H2,1-3H3/t8-/m0/s1
InChIKeyDUEIYAOLZGFTKH-QMMMGPOBSA-N
MW231.32 g/mol
LogP1.94
Rot. Bonds5

About 5-methyl-3-[[(2S)-2-methylbutyl]sulfonylmethyl]-1,2-oxazole

5-methyl-3-[[(2S)-2-methylbutyl]sulfonylmethyl]-1,2-oxazole (PubChem CID 97053996) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 5-methyl-3-[[(2S)-2-methylbutyl]sulfonylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[[(2S)-2-methylbutyl]sulfonylmethyl]-1,2-oxazole
PubChem CID97053996
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name5-methyl-3-[[(2S)-2-methylbutyl]sulfonylmethyl]-1,2-oxazole
SMILESCC[C@H](C)CS(=O)(=O)Cc1cc(C)on1
InChIInChI=1S/C10H17NO3S/c1-4-8(2)6-15(12,13)7-10-5-9(3)14-11-10/h5,8H,4,6-7H2,1-3H3/t8-/m0/s1
InChIKeyDUEIYAOLZGFTKH-QMMMGPOBSA-N
XLogP1.94
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[(2S)-2-methylbutyl]sulfonylmethyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[[(2S)-2-methylbutyl]sulfonylmethyl]-1,2-oxazole (CID 97053996) is 5-methyl-3-[[(2S)-2-methylbutyl]sulfonylmethyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[[(2S)-2-methylbutyl]sulfonylmethyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[[(2S)-2-methylbutyl]sulfonylmethyl]-1,2-oxazole is CC[C@H](C)CS(=O)(=O)Cc1cc(C)on1.
What is the InChIKey of 5-methyl-3-[[(2S)-2-methylbutyl]sulfonylmethyl]-1,2-oxazole?
The InChIKey is DUEIYAOLZGFTKH-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-4-8(2)6-15(12,13)7-10-5-9(3)14-11-10/h5,8H,4,6-7H2,1-3H3/t8-/m0/s1.
What are the key properties of 5-methyl-3-[[(2S)-2-methylbutyl]sulfonylmethyl]-1,2-oxazole?
5-methyl-3-[[(2S)-2-methylbutyl]sulfonylmethyl]-1,2-oxazole has a molecular weight of 231.32 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[(2S)-2-methylbutyl]sulfonylmethyl]-1,2-oxazole is sourced from PubChem (CID 97053996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).