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

C16H15NO3S2 — CID 10088207

IUPAC2-methyl-5-(4-methylsulfonylphenyl)-4-(5-methylthiophen-2-yl)-1,3-oxazole
SMILESCc1nc(-c2ccc(C)s2)c(-c2ccc(S(C)(=O)=O)cc2)o1
InChIInChI=1S/C16H15NO3S2/c1-10-4-9-14(21-10)15-16(20-11(2)17-15)12-5-7-13(8-6-12)22(3,18)19/h4-9H,1-3H3
InChIKeyNTHXVKSHJIPMOJ-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.09
Rot. Bonds3

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

2-methyl-5-(4-methylsulfonylphenyl)-4-(5-methylthiophen-2-yl)-1,3-oxazole (PubChem CID 10088207) has the molecular formula C16H15NO3S2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-methyl-5-(4-methylsulfonylphenyl)-4-(5-methylthiophen-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-5-(4-methylsulfonylphenyl)-4-(5-methylthiophen-2-yl)-1,3-oxazole
PubChem CID10088207
Molecular FormulaC16H15NO3S2
Molecular Weight333.43 g/mol
Exact Mass333.05
IUPAC Name2-methyl-5-(4-methylsulfonylphenyl)-4-(5-methylthiophen-2-yl)-1,3-oxazole
SMILESCc1nc(-c2ccc(C)s2)c(-c2ccc(S(C)(=O)=O)cc2)o1
InChIInChI=1S/C16H15NO3S2/c1-10-4-9-14(21-10)15-16(20-11(2)17-15)12-5-7-13(8-6-12)22(3,18)19/h4-9H,1-3H3
InChIKeyNTHXVKSHJIPMOJ-UHFFFAOYSA-N
XLogP4.09
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylsulfonylphenyl)-4-(5-methylthiophen-2-yl)-1,3-oxazole?
The IUPAC name of 2-methyl-5-(4-methylsulfonylphenyl)-4-(5-methylthiophen-2-yl)-1,3-oxazole (CID 10088207) is 2-methyl-5-(4-methylsulfonylphenyl)-4-(5-methylthiophen-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-methyl-5-(4-methylsulfonylphenyl)-4-(5-methylthiophen-2-yl)-1,3-oxazole?
The canonical SMILES for 2-methyl-5-(4-methylsulfonylphenyl)-4-(5-methylthiophen-2-yl)-1,3-oxazole is Cc1nc(-c2ccc(C)s2)c(-c2ccc(S(C)(=O)=O)cc2)o1.
What is the InChIKey of 2-methyl-5-(4-methylsulfonylphenyl)-4-(5-methylthiophen-2-yl)-1,3-oxazole?
The InChIKey is NTHXVKSHJIPMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S2/c1-10-4-9-14(21-10)15-16(20-11(2)17-15)12-5-7-13(8-6-12)22(3,18)19/h4-9H,1-3H3.
What are the key properties of 2-methyl-5-(4-methylsulfonylphenyl)-4-(5-methylthiophen-2-yl)-1,3-oxazole?
2-methyl-5-(4-methylsulfonylphenyl)-4-(5-methylthiophen-2-yl)-1,3-oxazole has a molecular weight of 333.43 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylsulfonylphenyl)-4-(5-methylthiophen-2-yl)-1,3-oxazole is sourced from PubChem (CID 10088207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).