tert-butyl 3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]propanoate

C24H22ClF3N4O3 — CID 59377236

About tert-butyl 3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]propanoate

tert-butyl 3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]propanoate (PubChem CID 59377236) has the molecular formula C24H22ClF3N4O3 and a molecular weight of 506.91 g/mol. Its IUPAC name is tert-butyl 3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]propanoate.

Molecular Properties

• Compound Name: tert-butyl 3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]propanoate
• PubChem CID: 59377236
• Molecular Formula: C24H22ClF3N4O3
• Molecular Weight: 506.91 g/mol
• Exact Mass: 506.13
• IUPAC Name: tert-butyl 3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]propanoate
• SMILES: Cc1cc(CCC(=O)OC(C)(C)C)ccc1-c1noc(-c2cn3cc(C(F)(F)F)cc(Cl)c3n2)n1
• InChI: InChI=1S/C24H22ClF3N4O3/c1-13-9-14(6-8-19(33)34-23(2,3)4)5-7-16(13)20-30-22(35-31-20)18-12-32-11-15(24(26,27)28)10-17(25)21(32)29-18/h5,7,9-12H,6,8H2,1-4H3
• InChIKey: WPRORYIINHVDNF-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 82.52 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.91
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]propanoate?

The IUPAC name of tert-butyl 3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]propanoate (CID 59377236) is tert-butyl 3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]propanoate.

What is the SMILES notation for tert-butyl 3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]propanoate?

The canonical SMILES for tert-butyl 3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]propanoate is Cc1cc(CCC(=O)OC(C)(C)C)ccc1-c1noc(-c2cn3cc(C(F)(F)F)cc(Cl)c3n2)n1.

What is the InChIKey of tert-butyl 3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]propanoate?

The InChIKey is WPRORYIINHVDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF3N4O3/c1-13-9-14(6-8-19(33)34-23(2,3)4)5-7-16(13)20-30-22(35-31-20)18-12-32-11-15(24(26,27)28)10-17(25)21(32)29-18/h5,7,9-12H,6,8H2,1-4H3.

What are the key properties of tert-butyl 3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]propanoate?

tert-butyl 3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]propanoate has a molecular weight of 506.91 g/mol, XLogP of 6.31, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]propanoate is sourced from PubChem (CID 59377236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).