2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole

C19H15N3O4S — CID 16722696

IUPAC2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole
SMILESCc1onc(-c2ccccc2)c1-c1nnc(-c2ccc(S(C)(=O)=O)cc2)o1
InChIInChI=1S/C19H15N3O4S/c1-12-16(17(22-26-12)13-6-4-3-5-7-13)19-21-20-18(25-19)14-8-10-15(11-9-14)27(2,23)24/h3-11H,1-2H3
InChIKeyNTKOYQYEMPEPHJ-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.77
Rot. Bonds4

About 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole

2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole (PubChem CID 16722696) has the molecular formula C19H15N3O4S and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole
PubChem CID16722696
Molecular FormulaC19H15N3O4S
Molecular Weight381.41 g/mol
Exact Mass381.08
IUPAC Name2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole
SMILESCc1onc(-c2ccccc2)c1-c1nnc(-c2ccc(S(C)(=O)=O)cc2)o1
InChIInChI=1S/C19H15N3O4S/c1-12-16(17(22-26-12)13-6-4-3-5-7-13)19-21-20-18(25-19)14-8-10-15(11-9-14)27(2,23)24/h3-11H,1-2H3
InChIKeyNTKOYQYEMPEPHJ-UHFFFAOYSA-N
XLogP3.77
TPSA99.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole (CID 16722696) is 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole is Cc1onc(-c2ccccc2)c1-c1nnc(-c2ccc(S(C)(=O)=O)cc2)o1.
What is the InChIKey of 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole?
The InChIKey is NTKOYQYEMPEPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4S/c1-12-16(17(22-26-12)13-6-4-3-5-7-13)19-21-20-18(25-19)14-8-10-15(11-9-14)27(2,23)24/h3-11H,1-2H3.
What are the key properties of 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole?
2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole has a molecular weight of 381.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 16722696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).