2-methyl-5-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[3-(sulfamoylamino)phenyl]phenyl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole

C28H21F6N5O4S — CID 135260178

About 2-methyl-5-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[3-(sulfamoylamino)phenyl]phenyl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole

2-methyl-5-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[3-(sulfamoylamino)phenyl]phenyl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole (PubChem CID 135260178) has the molecular formula C28H21F6N5O4S and a molecular weight of 637.56 g/mol. Its IUPAC name is 2-methyl-5-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[3-(sulfamoylamino)phenyl]phenyl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-methyl-5-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[3-(sulfamoylamino)phenyl]phenyl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole
• PubChem CID: 135260178
• Molecular Formula: C28H21F6N5O4S
• Molecular Weight: 637.56 g/mol
• Exact Mass: 637.12
• IUPAC Name: 2-methyl-5-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[3-(sulfamoylamino)phenyl]phenyl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole
• SMILES: Cc1nc(-c2ccc(OC(F)(F)F)cc2)c(-c2cc(-c3cccc(NS(N)(=O)=O)c3)ccc2-c2cc(C(F)(F)F)nn2C)o1
• InChI: InChI=1S/C28H21F6N5O4S/c1-15-36-25(16-6-9-20(10-7-16)43-28(32,33)34)26(42-15)22-13-18(17-4-3-5-19(12-17)38-44(35,40)41)8-11-21(22)23-14-24(27(29,30)31)37-39(23)2/h3-14,38H,1-2H3,(H2,35,40,41)
• InChIKey: UVQGKFMMIIBFKQ-UHFFFAOYSA-N
• XLogP: 6.92
• TPSA: 125.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.56
LogP ≤ 5	6.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[3-(sulfamoylamino)phenyl]phenyl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole?

The IUPAC name of 2-methyl-5-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[3-(sulfamoylamino)phenyl]phenyl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole (CID 135260178) is 2-methyl-5-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[3-(sulfamoylamino)phenyl]phenyl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole.

What is the SMILES notation for 2-methyl-5-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[3-(sulfamoylamino)phenyl]phenyl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole?

The canonical SMILES for 2-methyl-5-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[3-(sulfamoylamino)phenyl]phenyl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole is Cc1nc(-c2ccc(OC(F)(F)F)cc2)c(-c2cc(-c3cccc(NS(N)(=O)=O)c3)ccc2-c2cc(C(F)(F)F)nn2C)o1.

What is the InChIKey of 2-methyl-5-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[3-(sulfamoylamino)phenyl]phenyl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole?

The InChIKey is UVQGKFMMIIBFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F6N5O4S/c1-15-36-25(16-6-9-20(10-7-16)43-28(32,33)34)26(42-15)22-13-18(17-4-3-5-19(12-17)38-44(35,40)41)8-11-21(22)23-14-24(27(29,30)31)37-39(23)2/h3-14,38H,1-2H3,(H2,35,40,41).

What are the key properties of 2-methyl-5-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[3-(sulfamoylamino)phenyl]phenyl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole?

2-methyl-5-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[3-(sulfamoylamino)phenyl]phenyl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole has a molecular weight of 637.56 g/mol, XLogP of 6.92, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[3-(sulfamoylamino)phenyl]phenyl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole is sourced from PubChem (CID 135260178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).