fluoro 2-[[3-(difluoromethyl)-5-[3-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-1,3-thiazole-5-carboxylate

C21H16F3N5O3S — CID 177007178

About fluoro 2-[[3-(difluoromethyl)-5-[3-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-1,3-thiazole-5-carboxylate

fluoro 2-[[3-(difluoromethyl)-5-[3-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-1,3-thiazole-5-carboxylate (PubChem CID 177007178) has the molecular formula C21H16F3N5O3S and a molecular weight of 475.45 g/mol. Its IUPAC name is fluoro 2-[[3-(difluoromethyl)-5-[3-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

• Compound Name: fluoro 2-[[3-(difluoromethyl)-5-[3-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-1,3-thiazole-5-carboxylate
• PubChem CID: 177007178
• Molecular Formula: C21H16F3N5O3S
• Molecular Weight: 475.45 g/mol
• Exact Mass: 475.09
• IUPAC Name: fluoro 2-[[3-(difluoromethyl)-5-[3-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-1,3-thiazole-5-carboxylate
• SMILES: Cc1ccccc1C1(c2noc(-c3cc(C(F)F)nn3Cc3ncc(C(=O)OF)s3)n2)CC1
• InChI: InChI=1S/C21H16F3N5O3S/c1-11-4-2-3-5-12(11)21(6-7-21)20-26-18(32-28-20)14-8-13(17(22)23)27-29(14)10-16-25-9-15(33-16)19(30)31-24/h2-5,8-9,17H,6-7,10H2,1H3
• InChIKey: BHQPXESFPJBFKH-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 95.93 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.45
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of fluoro 2-[[3-(difluoromethyl)-5-[3-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-1,3-thiazole-5-carboxylate?

The IUPAC name of fluoro 2-[[3-(difluoromethyl)-5-[3-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-1,3-thiazole-5-carboxylate (CID 177007178) is fluoro 2-[[3-(difluoromethyl)-5-[3-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-1,3-thiazole-5-carboxylate.

What is the SMILES notation for fluoro 2-[[3-(difluoromethyl)-5-[3-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-1,3-thiazole-5-carboxylate?

The canonical SMILES for fluoro 2-[[3-(difluoromethyl)-5-[3-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-1,3-thiazole-5-carboxylate is Cc1ccccc1C1(c2noc(-c3cc(C(F)F)nn3Cc3ncc(C(=O)OF)s3)n2)CC1.

What is the InChIKey of fluoro 2-[[3-(difluoromethyl)-5-[3-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-1,3-thiazole-5-carboxylate?

The InChIKey is BHQPXESFPJBFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O3S/c1-11-4-2-3-5-12(11)21(6-7-21)20-26-18(32-28-20)14-8-13(17(22)23)27-29(14)10-16-25-9-15(33-16)19(30)31-24/h2-5,8-9,17H,6-7,10H2,1H3.

What are the key properties of fluoro 2-[[3-(difluoromethyl)-5-[3-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-1,3-thiazole-5-carboxylate?

fluoro 2-[[3-(difluoromethyl)-5-[3-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-1,3-thiazole-5-carboxylate has a molecular weight of 475.45 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for fluoro 2-[[3-(difluoromethyl)-5-[3-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 177007178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).