[(1S)-1-[4-[[2-amino-1-(2,4-difluorophenyl)-2-oxoethyl]carbamoyl]-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazol-5-yl]ethyl] carbamate

C29H24F4N4O7 — CID 174981323

About [(1S)-1-[4-[[2-amino-1-(2,4-difluorophenyl)-2-oxoethyl]carbamoyl]-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazol-5-yl]ethyl] carbamate

[(1S)-1-[4-[[2-amino-1-(2,4-difluorophenyl)-2-oxoethyl]carbamoyl]-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazol-5-yl]ethyl] carbamate (PubChem CID 174981323) has the molecular formula C29H24F4N4O7 and a molecular weight of 616.52 g/mol. Its IUPAC name is [(1S)-1-[4-[[2-amino-1-(2,4-difluorophenyl)-2-oxoethyl]carbamoyl]-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazol-5-yl]ethyl] carbamate.

Molecular Properties

• Compound Name: [(1S)-1-[4-[[2-amino-1-(2,4-difluorophenyl)-2-oxoethyl]carbamoyl]-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazol-5-yl]ethyl] carbamate
• PubChem CID: 174981323
• Molecular Formula: C29H24F4N4O7
• Molecular Weight: 616.52 g/mol
• Exact Mass: 616.16
• IUPAC Name: [(1S)-1-[4-[[2-amino-1-(2,4-difluorophenyl)-2-oxoethyl]carbamoyl]-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazol-5-yl]ethyl] carbamate
• SMILES: C[C@H](OC(N)=O)c1oc(-c2ccc(OC(F)F)c(OCc3ccccc3)c2)nc1C(=O)NC(C(N)=O)c1ccc(F)cc1F
• InChI: InChI=1S/C29H24F4N4O7/c1-14(42-29(35)40)24-23(26(39)36-22(25(34)38)18-9-8-17(30)12-19(18)31)37-27(44-24)16-7-10-20(43-28(32)33)21(11-16)41-13-15-5-3-2-4-6-15/h2-12,14,22,28H,13H2,1H3,(H2,34,38)(H2,35,40)(H,36,39)/t14-,22?/m0/s1
• InChIKey: RLHVJKQQIUMSBV-XLEXHMCLSA-N
• XLogP: 4.91
• TPSA: 169.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	616.52
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[4-[[2-amino-1-(2,4-difluorophenyl)-2-oxoethyl]carbamoyl]-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazol-5-yl]ethyl] carbamate?

The IUPAC name of [(1S)-1-[4-[[2-amino-1-(2,4-difluorophenyl)-2-oxoethyl]carbamoyl]-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazol-5-yl]ethyl] carbamate (CID 174981323) is [(1S)-1-[4-[[2-amino-1-(2,4-difluorophenyl)-2-oxoethyl]carbamoyl]-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazol-5-yl]ethyl] carbamate.

What is the SMILES notation for [(1S)-1-[4-[[2-amino-1-(2,4-difluorophenyl)-2-oxoethyl]carbamoyl]-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazol-5-yl]ethyl] carbamate?

The canonical SMILES for [(1S)-1-[4-[[2-amino-1-(2,4-difluorophenyl)-2-oxoethyl]carbamoyl]-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazol-5-yl]ethyl] carbamate is C[C@H](OC(N)=O)c1oc(-c2ccc(OC(F)F)c(OCc3ccccc3)c2)nc1C(=O)NC(C(N)=O)c1ccc(F)cc1F.

What is the InChIKey of [(1S)-1-[4-[[2-amino-1-(2,4-difluorophenyl)-2-oxoethyl]carbamoyl]-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazol-5-yl]ethyl] carbamate?

The InChIKey is RLHVJKQQIUMSBV-XLEXHMCLSA-N. The full InChI is InChI=1S/C29H24F4N4O7/c1-14(42-29(35)40)24-23(26(39)36-22(25(34)38)18-9-8-17(30)12-19(18)31)37-27(44-24)16-7-10-20(43-28(32)33)21(11-16)41-13-15-5-3-2-4-6-15/h2-12,14,22,28H,13H2,1H3,(H2,34,38)(H2,35,40)(H,36,39)/t14-,22?/m0/s1.

What are the key properties of [(1S)-1-[4-[[2-amino-1-(2,4-difluorophenyl)-2-oxoethyl]carbamoyl]-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazol-5-yl]ethyl] carbamate?

[(1S)-1-[4-[[2-amino-1-(2,4-difluorophenyl)-2-oxoethyl]carbamoyl]-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazol-5-yl]ethyl] carbamate has a molecular weight of 616.52 g/mol, XLogP of 4.91, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S)-1-[4-[[2-amino-1-(2,4-difluorophenyl)-2-oxoethyl]carbamoyl]-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazol-5-yl]ethyl] carbamate is sourced from PubChem (CID 174981323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).