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

C30H30F4N4O8 — CID 174982931

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

[(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-1-morpholin-2-yl-2-oxoethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate (PubChem CID 174982931) has the molecular formula C30H30F4N4O8 and a molecular weight of 650.58 g/mol. Its IUPAC name is [(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-1-morpholin-2-yl-2-oxoethyl]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)-1-morpholin-2-yl-2-oxoethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate
• PubChem CID: 174982931
• Molecular Formula: C30H30F4N4O8
• Molecular Weight: 650.58 g/mol
• Exact Mass: 650.20
• IUPAC Name: [(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-1-morpholin-2-yl-2-oxoethyl]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)(c1ccc(F)cc1F)C1CNCCO1
• InChI: InChI=1S/C30H30F4N4O8/c1-15(44-29(35)41)25-24(37-27(46-25)17-4-7-21(45-28(33)34)22(10-17)43-13-16-2-3-16)26(40)38-30(14-39,23-12-36-8-9-42-23)19-6-5-18(31)11-20(19)32/h4-7,10-11,14-16,23,28,36H,2-3,8-9,12-13H2,1H3,(H2,35,41)(H,38,40)/t15-,23?,30?/m0/s1
• InChIKey: XYUUGAWLBBVOFA-BTGZFUPESA-N
• XLogP: 3.98
• TPSA: 164.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	650.58
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-1-morpholin-2-yl-2-oxoethyl]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)-1-morpholin-2-yl-2-oxoethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate (CID 174982931) is [(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-1-morpholin-2-yl-2-oxoethyl]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)-1-morpholin-2-yl-2-oxoethyl]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)-1-morpholin-2-yl-2-oxoethyl]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)(c1ccc(F)cc1F)C1CNCCO1.

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

The InChIKey is XYUUGAWLBBVOFA-BTGZFUPESA-N. The full InChI is InChI=1S/C30H30F4N4O8/c1-15(44-29(35)41)25-24(37-27(46-25)17-4-7-21(45-28(33)34)22(10-17)43-13-16-2-3-16)26(40)38-30(14-39,23-12-36-8-9-42-23)19-6-5-18(31)11-20(19)32/h4-7,10-11,14-16,23,28,36H,2-3,8-9,12-13H2,1H3,(H2,35,41)(H,38,40)/t15-,23?,30?/m0/s1.

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

[(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-1-morpholin-2-yl-2-oxoethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate has a molecular weight of 650.58 g/mol, XLogP of 3.98, 13 rotatable bonds, 3 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)-1-morpholin-2-yl-2-oxoethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate is sourced from PubChem (CID 174982931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).