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

C11H10ClNO4S — CID 165481100

IUPAC[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride
SMILESCOc1cccc(-c2cc(CS(=O)(=O)Cl)no2)c1
InChIInChI=1S/C11H10ClNO4S/c1-16-10-4-2-3-8(5-10)11-6-9(13-17-11)7-18(12,14)15/h2-6H,7H2,1H3
InChIKeyRXDMEUPPGSQDBL-UHFFFAOYSA-N
MW287.72 g/mol
LogP2.42
Rot. Bonds4

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

[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride (PubChem CID 165481100) has the molecular formula C11H10ClNO4S and a molecular weight of 287.72 g/mol. Its IUPAC name is [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride
PubChem CID165481100
Molecular FormulaC11H10ClNO4S
Molecular Weight287.72 g/mol
Exact Mass287.00
IUPAC Name[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride
SMILESCOc1cccc(-c2cc(CS(=O)(=O)Cl)no2)c1
InChIInChI=1S/C11H10ClNO4S/c1-16-10-4-2-3-8(5-10)11-6-9(13-17-11)7-18(12,14)15/h2-6H,7H2,1H3
InChIKeyRXDMEUPPGSQDBL-UHFFFAOYSA-N
XLogP2.42
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 50998515
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-1-phenylmethanesulfonamide
CID 110314851
[5-(4-nitrophenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride
CID 165472182
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]butane-1-sulfonamide
CID 110314836
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 42823025
4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866986
4-methoxy-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]benzamide
CID 110314795
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylphenyl)acetamide
CID 16878981
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylbenzoate
CID 16869792
4-fluoro-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-methylbenzenesulfonamide
CID 110314845
2-(4-methoxyphenyl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propan-2-ylacetamide
CID 46111582
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 91778429

Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
The IUPAC name of [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride (CID 165481100) is [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
The canonical SMILES for [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride is COc1cccc(-c2cc(CS(=O)(=O)Cl)no2)c1.
What is the InChIKey of [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
The InChIKey is RXDMEUPPGSQDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO4S/c1-16-10-4-2-3-8(5-10)11-6-9(13-17-11)7-18(12,14)15/h2-6H,7H2,1H3.
What are the key properties of [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride has a molecular weight of 287.72 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 165481100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).