[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-chlorophenyl)-1,2-oxazol-4-yl]methanone

C34H32ClF6N5O3Si — CID 87705496

About [1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-chlorophenyl)-1,2-oxazol-4-yl]methanone

[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-chlorophenyl)-1,2-oxazol-4-yl]methanone (PubChem CID 87705496) has the molecular formula C34H32ClF6N5O3Si and a molecular weight of 736.19 g/mol. Its IUPAC name is [1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-chlorophenyl)-1,2-oxazol-4-yl]methanone.

Molecular Properties

• Compound Name: [1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-chlorophenyl)-1,2-oxazol-4-yl]methanone
• PubChem CID: 87705496
• Molecular Formula: C34H32ClF6N5O3Si
• Molecular Weight: 736.19 g/mol
• Exact Mass: 735.19
• IUPAC Name: [1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-chlorophenyl)-1,2-oxazol-4-yl]methanone
• SMILES: CC(C)(C)[Si](C)(C)OCCc1onc(-c2ccccc2Cl)c1C(=O)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccncc1
• InChI: InChI=1S/C34H32ClF6N5O3Si/c1-32(2,3)50(4,5)48-15-12-26-27(28(44-49-26)24-8-6-7-9-25(24)35)31(47)29-30(21-10-13-42-14-11-21)46(45-43-29)19-20-16-22(33(36,37)38)18-23(17-20)34(39,40)41/h6-11,13-14,16-18H,12,15,19H2,1-5H3
• InChIKey: FRXWMWFIICECLB-UHFFFAOYSA-N
• XLogP: 9.53
• TPSA: 95.93 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.19
LogP ≤ 5	9.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-chlorophenyl)-1,2-oxazol-4-yl]methanone?

The IUPAC name of [1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-chlorophenyl)-1,2-oxazol-4-yl]methanone (CID 87705496) is [1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-chlorophenyl)-1,2-oxazol-4-yl]methanone.

What is the SMILES notation for [1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-chlorophenyl)-1,2-oxazol-4-yl]methanone?

The canonical SMILES for [1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-chlorophenyl)-1,2-oxazol-4-yl]methanone is CC(C)(C)[Si](C)(C)OCCc1onc(-c2ccccc2Cl)c1C(=O)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccncc1.

What is the InChIKey of [1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-chlorophenyl)-1,2-oxazol-4-yl]methanone?

The InChIKey is FRXWMWFIICECLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32ClF6N5O3Si/c1-32(2,3)50(4,5)48-15-12-26-27(28(44-49-26)24-8-6-7-9-25(24)35)31(47)29-30(21-10-13-42-14-11-21)46(45-43-29)19-20-16-22(33(36,37)38)18-23(17-20)34(39,40)41/h6-11,13-14,16-18H,12,15,19H2,1-5H3.

What are the key properties of [1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-chlorophenyl)-1,2-oxazol-4-yl]methanone?

[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-chlorophenyl)-1,2-oxazol-4-yl]methanone has a molecular weight of 736.19 g/mol, XLogP of 9.53, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-chlorophenyl)-1,2-oxazol-4-yl]methanone is sourced from PubChem (CID 87705496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).