[5-(2,4-dimethylpentan-3-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride

C11H18ClNO3S — CID 165479923

IUPAC[5-(2,4-dimethylpentan-3-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride
SMILESCC(C)C(c1cc(CS(=O)(=O)Cl)no1)C(C)C
InChIInChI=1S/C11H18ClNO3S/c1-7(2)11(8(3)4)10-5-9(13-16-10)6-17(12,14)15/h5,7-8,11H,6H2,1-4H3
InChIKeyHKIDZGMRZPFORI-UHFFFAOYSA-N
MW279.79 g/mol
LogP3.14
Rot. Bonds5

About [5-(2,4-dimethylpentan-3-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride

[5-(2,4-dimethylpentan-3-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride (PubChem CID 165479923) has the molecular formula C11H18ClNO3S and a molecular weight of 279.79 g/mol. Its IUPAC name is [5-(2,4-dimethylpentan-3-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[5-(2,4-dimethylpentan-3-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride
PubChem CID165479923
Molecular FormulaC11H18ClNO3S
Molecular Weight279.79 g/mol
Exact Mass279.07
IUPAC Name[5-(2,4-dimethylpentan-3-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride
SMILESCC(C)C(c1cc(CS(=O)(=O)Cl)no1)C(C)C
InChIInChI=1S/C11H18ClNO3S/c1-7(2)11(8(3)4)10-5-9(13-16-10)6-17(12,14)15/h5,7-8,11H,6H2,1-4H3
InChIKeyHKIDZGMRZPFORI-UHFFFAOYSA-N
XLogP3.14
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride
CID 165480238
[5-(4-propylphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride
CID 165472179
3-[(5-propan-2-yl-1,2-oxazol-3-yl)methylsulfonyl]propanoic acid
CID 25248496
[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride
CID 165479251
[5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride
CID 165479252
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride
CID 165481100
[5-(4-nitrophenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride
CID 165472182
[5-(1-cyclobutylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride
CID 165479922
N-(2-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43502409
2-methyl-1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]propan-1-amine
CID 82399395
N-[(2R)-1-hydroxypropan-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 64722552
3-[[(1S)-1-(2-chlorophenyl)ethyl]sulfonylmethyl]-5-methyl-1,2-oxazole
CID 94025461

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dimethylpentan-3-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
The IUPAC name of [5-(2,4-dimethylpentan-3-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride (CID 165479923) is [5-(2,4-dimethylpentan-3-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [5-(2,4-dimethylpentan-3-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
The canonical SMILES for [5-(2,4-dimethylpentan-3-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride is CC(C)C(c1cc(CS(=O)(=O)Cl)no1)C(C)C.
What is the InChIKey of [5-(2,4-dimethylpentan-3-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
The InChIKey is HKIDZGMRZPFORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO3S/c1-7(2)11(8(3)4)10-5-9(13-16-10)6-17(12,14)15/h5,7-8,11H,6H2,1-4H3.
What are the key properties of [5-(2,4-dimethylpentan-3-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
[5-(2,4-dimethylpentan-3-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride has a molecular weight of 279.79 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dimethylpentan-3-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 165479923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).