5-methyl-3-phenyl-1,2-oxazole-4-sulfonyl chloride

C10H8ClNO3S — CID 18525696

IUPAC5-methyl-3-phenyl-1,2-oxazole-4-sulfonyl chloride
SMILESCc1onc(-c2ccccc2)c1S(=O)(=O)Cl
InChIInChI=1S/C10H8ClNO3S/c1-7-10(16(11,13)14)9(12-15-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyGXQBTNFENYVPFM-UHFFFAOYSA-N
MW257.70 g/mol
LogP2.58
Rot. Bonds2

About 5-methyl-3-phenyl-1,2-oxazole-4-sulfonyl chloride

5-methyl-3-phenyl-1,2-oxazole-4-sulfonyl chloride (PubChem CID 18525696) has the molecular formula C10H8ClNO3S and a molecular weight of 257.70 g/mol. Its IUPAC name is 5-methyl-3-phenyl-1,2-oxazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-methyl-3-phenyl-1,2-oxazole-4-sulfonyl chloride
PubChem CID18525696
Molecular FormulaC10H8ClNO3S
Molecular Weight257.70 g/mol
Exact Mass256.99
IUPAC Name5-methyl-3-phenyl-1,2-oxazole-4-sulfonyl chloride
SMILESCc1onc(-c2ccccc2)c1S(=O)(=O)Cl
InChIInChI=1S/C10H8ClNO3S/c1-7-10(16(11,13)14)9(12-15-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyGXQBTNFENYVPFM-UHFFFAOYSA-N
XLogP2.58
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.70
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-1,2-oxazole-4-sulfonyl chloride?
The IUPAC name of 5-methyl-3-phenyl-1,2-oxazole-4-sulfonyl chloride (CID 18525696) is 5-methyl-3-phenyl-1,2-oxazole-4-sulfonyl chloride.
What is the SMILES notation for 5-methyl-3-phenyl-1,2-oxazole-4-sulfonyl chloride?
The canonical SMILES for 5-methyl-3-phenyl-1,2-oxazole-4-sulfonyl chloride is Cc1onc(-c2ccccc2)c1S(=O)(=O)Cl.
What is the InChIKey of 5-methyl-3-phenyl-1,2-oxazole-4-sulfonyl chloride?
The InChIKey is GXQBTNFENYVPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO3S/c1-7-10(16(11,13)14)9(12-15-7)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 5-methyl-3-phenyl-1,2-oxazole-4-sulfonyl chloride?
5-methyl-3-phenyl-1,2-oxazole-4-sulfonyl chloride has a molecular weight of 257.70 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-1,2-oxazole-4-sulfonyl chloride is sourced from PubChem (CID 18525696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).