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

C13H14ClNO3S — CID 165472179

IUPAC[5-(4-propylphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride
SMILESCCCc1ccc(-c2cc(CS(=O)(=O)Cl)no2)cc1
InChIInChI=1S/C13H14ClNO3S/c1-2-3-10-4-6-11(7-5-10)13-8-12(15-18-13)9-19(14,16)17/h4-8H,2-3,9H2,1H3
InChIKeyRSFFHHFVQJPJIZ-UHFFFAOYSA-N
MW299.78 g/mol
LogP3.36
Rot. Bonds5

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

[5-(4-propylphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride (PubChem CID 165472179) has the molecular formula C13H14ClNO3S and a molecular weight of 299.78 g/mol. Its IUPAC name is [5-(4-propylphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[5-(4-propylphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride
PubChem CID165472179
Molecular FormulaC13H14ClNO3S
Molecular Weight299.78 g/mol
Exact Mass299.04
IUPAC Name[5-(4-propylphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride
SMILESCCCc1ccc(-c2cc(CS(=O)(=O)Cl)no2)cc1
InChIInChI=1S/C13H14ClNO3S/c1-2-3-10-4-6-11(7-5-10)13-8-12(15-18-13)9-19(14,16)17/h4-8H,2-3,9H2,1H3
InChIKeyRSFFHHFVQJPJIZ-UHFFFAOYSA-N
XLogP3.36
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-nitrophenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride
CID 165472182
[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-(2-fluorophenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride
CID 165479251
[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride
CID 165480238
5-(4-butylphenyl)-3-methyl-1,2-oxazole
CID 169499000
[5-(1-cyclobutylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride
CID 165479922
[5-(2,4-dimethylpentan-3-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride
CID 165479923
3-ethyl-5-(4-methoxyphenyl)-1,2-oxazole
CID 59226263
N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide
CID 110314681
methyl 5-(4-butylphenyl)-1,2-oxazole-3-carboxylate
CID 154791681
N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine
CID 118215728

Frequently Asked Questions

What is the IUPAC name of [5-(4-propylphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
The IUPAC name of [5-(4-propylphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride (CID 165472179) is [5-(4-propylphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [5-(4-propylphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
The canonical SMILES for [5-(4-propylphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride is CCCc1ccc(-c2cc(CS(=O)(=O)Cl)no2)cc1.
What is the InChIKey of [5-(4-propylphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
The InChIKey is RSFFHHFVQJPJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3S/c1-2-3-10-4-6-11(7-5-10)13-8-12(15-18-13)9-19(14,16)17/h4-8H,2-3,9H2,1H3.
What are the key properties of [5-(4-propylphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
[5-(4-propylphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride has a molecular weight of 299.78 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-propylphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 165472179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).