5-(3,5-dichlorophenyl)-2-methyl-4-[5-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole

C28H22Cl2F3N3O3S — CID 123923987

About 5-(3,5-dichlorophenyl)-2-methyl-4-[5-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole

5-(3,5-dichlorophenyl)-2-methyl-4-[5-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole (PubChem CID 123923987) has the molecular formula C28H22Cl2F3N3O3S and a molecular weight of 608.47 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-2-methyl-4-[5-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole.

Molecular Properties

• Compound Name: 5-(3,5-dichlorophenyl)-2-methyl-4-[5-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole
• PubChem CID: 123923987
• Molecular Formula: C28H22Cl2F3N3O3S
• Molecular Weight: 608.47 g/mol
• Exact Mass: 607.07
• IUPAC Name: 5-(3,5-dichlorophenyl)-2-methyl-4-[5-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole
• SMILES: Cc1nc(-c2cc(C3=CC=CC(S(C)(=O)=O)C3)ccc2-n2cc(C(F)(F)F)nc2C)c(-c2cc(Cl)cc(Cl)c2)o1
• InChI: InChI=1S/C28H22Cl2F3N3O3S/c1-15-34-25(28(31,32)33)14-36(15)24-8-7-18(17-5-4-6-22(11-17)40(3,37)38)12-23(24)26-27(39-16(2)35-26)19-9-20(29)13-21(30)10-19/h4-10,12-14,22H,11H2,1-3H3
• InChIKey: VDQVJOVVVANAJR-UHFFFAOYSA-N
• XLogP: 7.89
• TPSA: 77.99 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.47
LogP ≤ 5	7.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-2-methyl-4-[5-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole?

The IUPAC name of 5-(3,5-dichlorophenyl)-2-methyl-4-[5-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole (CID 123923987) is 5-(3,5-dichlorophenyl)-2-methyl-4-[5-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole.

What is the SMILES notation for 5-(3,5-dichlorophenyl)-2-methyl-4-[5-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole?

The canonical SMILES for 5-(3,5-dichlorophenyl)-2-methyl-4-[5-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole is Cc1nc(-c2cc(C3=CC=CC(S(C)(=O)=O)C3)ccc2-n2cc(C(F)(F)F)nc2C)c(-c2cc(Cl)cc(Cl)c2)o1.

What is the InChIKey of 5-(3,5-dichlorophenyl)-2-methyl-4-[5-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole?

The InChIKey is VDQVJOVVVANAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22Cl2F3N3O3S/c1-15-34-25(28(31,32)33)14-36(15)24-8-7-18(17-5-4-6-22(11-17)40(3,37)38)12-23(24)26-27(39-16(2)35-26)19-9-20(29)13-21(30)10-19/h4-10,12-14,22H,11H2,1-3H3.

What are the key properties of 5-(3,5-dichlorophenyl)-2-methyl-4-[5-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole?

5-(3,5-dichlorophenyl)-2-methyl-4-[5-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole has a molecular weight of 608.47 g/mol, XLogP of 7.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,5-dichlorophenyl)-2-methyl-4-[5-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole is sourced from PubChem (CID 123923987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).