tert-butyl N-[1-[5-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]carbamate

C27H31F2N5O4 — CID 121308766

About tert-butyl N-[1-[5-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-[5-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]carbamate (PubChem CID 121308766) has the molecular formula C27H31F2N5O4 and a molecular weight of 527.57 g/mol. Its IUPAC name is tert-butyl N-[1-[5-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[5-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]carbamate
• PubChem CID: 121308766
• Molecular Formula: C27H31F2N5O4
• Molecular Weight: 527.57 g/mol
• Exact Mass: 527.23
• IUPAC Name: tert-butyl N-[1-[5-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]carbamate
• SMILES: Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(-c3nnc(CC(C)(C)NC(=O)OC(C)(C)C)o3)n2c1
• InChI: InChI=1S/C27H31F2N5O4/c1-15-11-20(36-14-17-18(28)9-8-10-19(17)29)23-30-16(2)22(34(23)13-15)24-33-32-21(37-24)12-27(6,7)31-25(35)38-26(3,4)5/h8-11,13H,12,14H2,1-7H3,(H,31,35)
• InChIKey: PJOFNVFMMXIAHA-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 103.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.57
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[5-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[1-[5-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]carbamate (CID 121308766) is tert-butyl N-[1-[5-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[1-[5-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[1-[5-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]carbamate is Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(-c3nnc(CC(C)(C)NC(=O)OC(C)(C)C)o3)n2c1.

What is the InChIKey of tert-butyl N-[1-[5-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]carbamate?

The InChIKey is PJOFNVFMMXIAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F2N5O4/c1-15-11-20(36-14-17-18(28)9-8-10-19(17)29)23-30-16(2)22(34(23)13-15)24-33-32-21(37-24)12-27(6,7)31-25(35)38-26(3,4)5/h8-11,13H,12,14H2,1-7H3,(H,31,35).

What are the key properties of tert-butyl N-[1-[5-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]carbamate?

tert-butyl N-[1-[5-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]carbamate has a molecular weight of 527.57 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[5-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 121308766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).