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

C28H29F4N3O6 — CID 174981703

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

[1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenyl)carbamoyl]-1,3-oxazol-5-yl]-3,3-dimethylbutyl] carbamate (PubChem CID 174981703) has the molecular formula C28H29F4N3O6 and a molecular weight of 579.55 g/mol. Its IUPAC name is [1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenyl)carbamoyl]-1,3-oxazol-5-yl]-3,3-dimethylbutyl] carbamate.

Molecular Properties

• Compound Name: [1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenyl)carbamoyl]-1,3-oxazol-5-yl]-3,3-dimethylbutyl] carbamate
• PubChem CID: 174981703
• Molecular Formula: C28H29F4N3O6
• Molecular Weight: 579.55 g/mol
• Exact Mass: 579.20
• IUPAC Name: [1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenyl)carbamoyl]-1,3-oxazol-5-yl]-3,3-dimethylbutyl] carbamate
• SMILES: CC(C)(C)CC(OC(N)=O)c1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)Nc1ccc(F)cc1F
• InChI: InChI=1S/C28H29F4N3O6/c1-28(2,3)12-21(40-27(33)37)23-22(24(36)34-18-8-7-16(29)11-17(18)30)35-25(41-23)15-6-9-19(39-26(31)32)20(10-15)38-13-14-4-5-14/h6-11,14,21,26H,4-5,12-13H2,1-3H3,(H2,33,37)(H,34,36)
• InChIKey: FZOPPRUDWXPVSI-UHFFFAOYSA-N
• XLogP: 6.83
• TPSA: 125.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.55
LogP ≤ 5	6.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenyl)carbamoyl]-1,3-oxazol-5-yl]-3,3-dimethylbutyl] carbamate (CID 174981703) is [1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenyl)carbamoyl]-1,3-oxazol-5-yl]-3,3-dimethylbutyl] carbamate.

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

The canonical SMILES for [1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenyl)carbamoyl]-1,3-oxazol-5-yl]-3,3-dimethylbutyl] carbamate is CC(C)(C)CC(OC(N)=O)c1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)Nc1ccc(F)cc1F.

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

The InChIKey is FZOPPRUDWXPVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F4N3O6/c1-28(2,3)12-21(40-27(33)37)23-22(24(36)34-18-8-7-16(29)11-17(18)30)35-25(41-23)15-6-9-19(39-26(31)32)20(10-15)38-13-14-4-5-14/h6-11,14,21,26H,4-5,12-13H2,1-3H3,(H2,33,37)(H,34,36).

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

[1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenyl)carbamoyl]-1,3-oxazol-5-yl]-3,3-dimethylbutyl] carbamate has a molecular weight of 579.55 g/mol, XLogP of 6.83, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenyl)carbamoyl]-1,3-oxazol-5-yl]-3,3-dimethylbutyl] carbamate is sourced from PubChem (CID 174981703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).