[(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-2-oxo-2-(sulfamoylamino)ethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate

C26H25F4N5O9S — CID 175332119

About [(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-2-oxo-2-(sulfamoylamino)ethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate

[(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-2-oxo-2-(sulfamoylamino)ethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate (PubChem CID 175332119) has the molecular formula C26H25F4N5O9S and a molecular weight of 659.57 g/mol. Its IUPAC name is [(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-2-oxo-2-(sulfamoylamino)ethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate.

Molecular Properties

• Compound Name: [(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-2-oxo-2-(sulfamoylamino)ethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate
• PubChem CID: 175332119
• Molecular Formula: C26H25F4N5O9S
• Molecular Weight: 659.57 g/mol
• Exact Mass: 659.13
• IUPAC Name: [(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-2-oxo-2-(sulfamoylamino)ethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate
• SMILES: C[C@H](OC(N)=O)c1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)NC(C(=O)NS(N)(=O)=O)c1ccc(F)cc1F
• InChI: InChI=1S/C26H25F4N5O9S/c1-11(42-26(31)38)21-20(22(36)33-19(23(37)35-45(32,39)40)15-6-5-14(27)9-16(15)28)34-24(44-21)13-4-7-17(43-25(29)30)18(8-13)41-10-12-2-3-12/h4-9,11-12,19,25H,2-3,10H2,1H3,(H2,31,38)(H,33,36)(H,35,37)(H2,32,39,40)/t11-,19?/m0/s1
• InChIKey: YKQBYNGCXFNXIN-IFGYVTRGSA-N
• XLogP: 2.96
• TPSA: 215.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	659.57
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-2-oxo-2-(sulfamoylamino)ethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate?

The IUPAC name of [(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-2-oxo-2-(sulfamoylamino)ethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate (CID 175332119) is [(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-2-oxo-2-(sulfamoylamino)ethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate.

What is the SMILES notation for [(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-2-oxo-2-(sulfamoylamino)ethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate?

The canonical SMILES for [(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-2-oxo-2-(sulfamoylamino)ethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate is C[C@H](OC(N)=O)c1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)NC(C(=O)NS(N)(=O)=O)c1ccc(F)cc1F.

What is the InChIKey of [(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-2-oxo-2-(sulfamoylamino)ethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate?

The InChIKey is YKQBYNGCXFNXIN-IFGYVTRGSA-N. The full InChI is InChI=1S/C26H25F4N5O9S/c1-11(42-26(31)38)21-20(22(36)33-19(23(37)35-45(32,39)40)15-6-5-14(27)9-16(15)28)34-24(44-21)13-4-7-17(43-25(29)30)18(8-13)41-10-12-2-3-12/h4-9,11-12,19,25H,2-3,10H2,1H3,(H2,31,38)(H,33,36)(H,35,37)(H2,32,39,40)/t11-,19?/m0/s1.

What are the key properties of [(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-2-oxo-2-(sulfamoylamino)ethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate?

[(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-2-oxo-2-(sulfamoylamino)ethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate has a molecular weight of 659.57 g/mol, XLogP of 2.96, 13 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-2-oxo-2-(sulfamoylamino)ethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate is sourced from PubChem (CID 175332119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).