5-tert-butyl-2-[1-(2-fluorophenyl)sulfonylethyl]-1,3-oxazole

C15H18FNO3S — CID 126787212

IUPAC5-tert-butyl-2-[1-(2-fluorophenyl)sulfonylethyl]-1,3-oxazole
SMILESCC(c1ncc(C(C)(C)C)o1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H18FNO3S/c1-10(14-17-9-13(20-14)15(2,3)4)21(18,19)12-8-6-5-7-11(12)16/h5-10H,1-4H3
InChIKeyOFXPQEXMPORHAY-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.65
Rot. Bonds3

About 5-tert-butyl-2-[1-(2-fluorophenyl)sulfonylethyl]-1,3-oxazole

5-tert-butyl-2-[1-(2-fluorophenyl)sulfonylethyl]-1,3-oxazole (PubChem CID 126787212) has the molecular formula C15H18FNO3S and a molecular weight of 311.38 g/mol. Its IUPAC name is 5-tert-butyl-2-[1-(2-fluorophenyl)sulfonylethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-[1-(2-fluorophenyl)sulfonylethyl]-1,3-oxazole
PubChem CID126787212
Molecular FormulaC15H18FNO3S
Molecular Weight311.38 g/mol
Exact Mass311.10
IUPAC Name5-tert-butyl-2-[1-(2-fluorophenyl)sulfonylethyl]-1,3-oxazole
SMILESCC(c1ncc(C(C)(C)C)o1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H18FNO3S/c1-10(14-17-9-13(20-14)15(2,3)4)21(18,19)12-8-6-5-7-11(12)16/h5-10H,1-4H3
InChIKeyOFXPQEXMPORHAY-UHFFFAOYSA-N
XLogP3.65
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-2-propan-2-yl-1,3-oxazole
CID 23571128
[2-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfonyl]-3-methylimidazol-4-yl]methanol
CID 75497616
5-tert-butyl-2-[(1R)-1-chloroethyl]-1,3-oxazole
CID 93105065
1-[4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethoxy]-2-fluorophenyl]ethanone
CID 75468717
2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 47109896
4-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine
CID 64703577
1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]ethanamine
CID 84766268
[[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]amino]-trimethylsilane
CID 170607338
2-(2-fluorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-ol
CID 106585237
methyl 3-(2-fluorophenyl)sulfonylbutanoate
CID 43536491
5-[(1S)-1-(2,5-difluorophenyl)sulfonylethyl]-3-methyl-1,2,4-oxadiazole
CID 94027334
N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-4-pyrimidin-5-ylaniline
CID 84585568

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[1-(2-fluorophenyl)sulfonylethyl]-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-[1-(2-fluorophenyl)sulfonylethyl]-1,3-oxazole (CID 126787212) is 5-tert-butyl-2-[1-(2-fluorophenyl)sulfonylethyl]-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-[1-(2-fluorophenyl)sulfonylethyl]-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-[1-(2-fluorophenyl)sulfonylethyl]-1,3-oxazole is CC(c1ncc(C(C)(C)C)o1)S(=O)(=O)c1ccccc1F.
What is the InChIKey of 5-tert-butyl-2-[1-(2-fluorophenyl)sulfonylethyl]-1,3-oxazole?
The InChIKey is OFXPQEXMPORHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3S/c1-10(14-17-9-13(20-14)15(2,3)4)21(18,19)12-8-6-5-7-11(12)16/h5-10H,1-4H3.
What are the key properties of 5-tert-butyl-2-[1-(2-fluorophenyl)sulfonylethyl]-1,3-oxazole?
5-tert-butyl-2-[1-(2-fluorophenyl)sulfonylethyl]-1,3-oxazole has a molecular weight of 311.38 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[1-(2-fluorophenyl)sulfonylethyl]-1,3-oxazole is sourced from PubChem (CID 126787212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).