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

C27H27F4N5O7 — CID 174982988

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

1-[4-[[2-(carbamoylamino)-1-(2,4-difluorophenyl)ethyl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl carbamate (PubChem CID 174982988) has the molecular formula C27H27F4N5O7 and a molecular weight of 609.53 g/mol. Its IUPAC name is 1-[4-[[2-(carbamoylamino)-1-(2,4-difluorophenyl)ethyl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl carbamate.

Molecular Properties

• Compound Name: 1-[4-[[2-(carbamoylamino)-1-(2,4-difluorophenyl)ethyl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl carbamate
• PubChem CID: 174982988
• Molecular Formula: C27H27F4N5O7
• Molecular Weight: 609.53 g/mol
• Exact Mass: 609.18
• IUPAC Name: 1-[4-[[2-(carbamoylamino)-1-(2,4-difluorophenyl)ethyl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl carbamate
• SMILES: CC(OC(N)=O)c1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)NC(CNC(N)=O)c1ccc(F)cc1F
• InChI: InChI=1S/C27H27F4N5O7/c1-12(41-27(33)39)22-21(23(37)35-18(10-34-26(32)38)16-6-5-15(28)9-17(16)29)36-24(43-22)14-4-7-19(42-25(30)31)20(8-14)40-11-13-2-3-13/h4-9,12-13,18,25H,2-3,10-11H2,1H3,(H2,33,39)(H,35,37)(H3,32,34,38)
• InChIKey: RGMBSMUASLYOEF-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 181.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	609.53
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[4-[[2-(carbamoylamino)-1-(2,4-difluorophenyl)ethyl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl carbamate (CID 174982988) is 1-[4-[[2-(carbamoylamino)-1-(2,4-difluorophenyl)ethyl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl carbamate.

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

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

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

The InChIKey is RGMBSMUASLYOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F4N5O7/c1-12(41-27(33)39)22-21(23(37)35-18(10-34-26(32)38)16-6-5-15(28)9-17(16)29)36-24(43-22)14-4-7-19(42-25(30)31)20(8-14)40-11-13-2-3-13/h4-9,12-13,18,25H,2-3,10-11H2,1H3,(H2,33,39)(H,35,37)(H3,32,34,38).

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

1-[4-[[2-(carbamoylamino)-1-(2,4-difluorophenyl)ethyl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl carbamate has a molecular weight of 609.53 g/mol, XLogP of 4.31, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[2-(carbamoylamino)-1-(2,4-difluorophenyl)ethyl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl carbamate is sourced from PubChem (CID 174982988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).