5-(5-chlorothiophen-2-yl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-oxazole

C15H12ClNO3S2 — CID 15429226

IUPAC5-(5-chlorothiophen-2-yl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-oxazole
SMILESCc1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(Cl)s2)o1
InChIInChI=1S/C15H12ClNO3S2/c1-9-17-14(15(20-9)12-7-8-13(16)21-12)10-3-5-11(6-4-10)22(2,18)19/h3-8H,1-2H3
InChIKeyLJQZWLHYDKWZIL-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.44
Rot. Bonds3

About 5-(5-chlorothiophen-2-yl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-oxazole

5-(5-chlorothiophen-2-yl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-oxazole (PubChem CID 15429226) has the molecular formula C15H12ClNO3S2 and a molecular weight of 353.85 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-oxazole
PubChem CID15429226
Molecular FormulaC15H12ClNO3S2
Molecular Weight353.85 g/mol
Exact Mass352.99
IUPAC Name5-(5-chlorothiophen-2-yl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-oxazole
SMILESCc1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(Cl)s2)o1
InChIInChI=1S/C15H12ClNO3S2/c1-9-17-14(15(20-9)12-7-8-13(16)21-12)10-3-5-11(6-4-10)22(2,18)19/h3-8H,1-2H3
InChIKeyLJQZWLHYDKWZIL-UHFFFAOYSA-N
XLogP4.44
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-oxazole?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-oxazole (CID 15429226) is 5-(5-chlorothiophen-2-yl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-oxazole.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-oxazole?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-oxazole is Cc1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(Cl)s2)o1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-oxazole?
The InChIKey is LJQZWLHYDKWZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3S2/c1-9-17-14(15(20-9)12-7-8-13(16)21-12)10-3-5-11(6-4-10)22(2,18)19/h3-8H,1-2H3.
What are the key properties of 5-(5-chlorothiophen-2-yl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-oxazole?
5-(5-chlorothiophen-2-yl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-oxazole has a molecular weight of 353.85 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-oxazole is sourced from PubChem (CID 15429226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).