N-[3-[[3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]butanamide

C27H22F3N5O3 — CID 155682509

About N-[3-[[3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]butanamide

N-[3-[[3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]butanamide (PubChem CID 155682509) has the molecular formula C27H22F3N5O3 and a molecular weight of 521.50 g/mol. Its IUPAC name is N-[3-[[3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]butanamide.

Molecular Properties

• Compound Name: N-[3-[[3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]butanamide
• PubChem CID: 155682509
• Molecular Formula: C27H22F3N5O3
• Molecular Weight: 521.50 g/mol
• Exact Mass: 521.17
• IUPAC Name: N-[3-[[3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]butanamide
• SMILES: CCCC(=O)Nc1cccc(Cn2nc(-c3nc(-c4ccc(OC(F)(F)F)cc4)no3)c3ccccc32)c1
• InChI: InChI=1S/C27H22F3N5O3/c1-2-6-23(36)31-19-8-5-7-17(15-19)16-35-22-10-4-3-9-21(22)24(33-35)26-32-25(34-38-26)18-11-13-20(14-12-18)37-27(28,29)30/h3-5,7-15H,2,6,16H2,1H3,(H,31,36)
• InChIKey: GGHINSXIGQKXTF-UHFFFAOYSA-N
• XLogP: 6.44
• TPSA: 95.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.50
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]butanamide?

The IUPAC name of N-[3-[[3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]butanamide (CID 155682509) is N-[3-[[3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]butanamide.

What is the SMILES notation for N-[3-[[3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]butanamide?

The canonical SMILES for N-[3-[[3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]butanamide is CCCC(=O)Nc1cccc(Cn2nc(-c3nc(-c4ccc(OC(F)(F)F)cc4)no3)c3ccccc32)c1.

What is the InChIKey of N-[3-[[3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]butanamide?

The InChIKey is GGHINSXIGQKXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3N5O3/c1-2-6-23(36)31-19-8-5-7-17(15-19)16-35-22-10-4-3-9-21(22)24(33-35)26-32-25(34-38-26)18-11-13-20(14-12-18)37-27(28,29)30/h3-5,7-15H,2,6,16H2,1H3,(H,31,36).

What are the key properties of N-[3-[[3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]butanamide?

N-[3-[[3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]butanamide has a molecular weight of 521.50 g/mol, XLogP of 6.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]butanamide is sourced from PubChem (CID 155682509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).