tert-butyl N-[1-[4-[[2-(cyclobutyloxycarbonylamino)cyclopropyl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl]carbamate

C30H38F2N4O8 — CID 175092755

About tert-butyl N-[1-[4-[[2-(cyclobutyloxycarbonylamino)cyclopropyl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl]carbamate

tert-butyl N-[1-[4-[[2-(cyclobutyloxycarbonylamino)cyclopropyl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl]carbamate (PubChem CID 175092755) has the molecular formula C30H38F2N4O8 and a molecular weight of 620.65 g/mol. Its IUPAC name is tert-butyl N-[1-[4-[[2-(cyclobutyloxycarbonylamino)cyclopropyl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[4-[[2-(cyclobutyloxycarbonylamino)cyclopropyl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl]carbamate
• PubChem CID: 175092755
• Molecular Formula: C30H38F2N4O8
• Molecular Weight: 620.65 g/mol
• Exact Mass: 620.27
• IUPAC Name: tert-butyl N-[1-[4-[[2-(cyclobutyloxycarbonylamino)cyclopropyl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl]carbamate
• SMILES: CC(NC(=O)OC(C)(C)C)c1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)NC1CC1NC(=O)OC1CCC1
• InChI: InChI=1S/C30H38F2N4O8/c1-15(33-29(39)44-30(2,3)4)24-23(25(37)34-19-13-20(19)35-28(38)41-18-6-5-7-18)36-26(43-24)17-10-11-21(42-27(31)32)22(12-17)40-14-16-8-9-16/h10-12,15-16,18-20,27H,5-9,13-14H2,1-4H3,(H,33,39)(H,34,37)(H,35,38)
• InChIKey: WDBHIUPPHNVNLC-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 150.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.65
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-[[2-(cyclobutyloxycarbonylamino)cyclopropyl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl]carbamate?

The IUPAC name of tert-butyl N-[1-[4-[[2-(cyclobutyloxycarbonylamino)cyclopropyl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl]carbamate (CID 175092755) is tert-butyl N-[1-[4-[[2-(cyclobutyloxycarbonylamino)cyclopropyl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl]carbamate.

What is the SMILES notation for tert-butyl N-[1-[4-[[2-(cyclobutyloxycarbonylamino)cyclopropyl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl]carbamate?

The canonical SMILES for tert-butyl N-[1-[4-[[2-(cyclobutyloxycarbonylamino)cyclopropyl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl]carbamate is CC(NC(=O)OC(C)(C)C)c1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)NC1CC1NC(=O)OC1CCC1.

What is the InChIKey of tert-butyl N-[1-[4-[[2-(cyclobutyloxycarbonylamino)cyclopropyl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl]carbamate?

The InChIKey is WDBHIUPPHNVNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38F2N4O8/c1-15(33-29(39)44-30(2,3)4)24-23(25(37)34-19-13-20(19)35-28(38)41-18-6-5-7-18)36-26(43-24)17-10-11-21(42-27(31)32)22(12-17)40-14-16-8-9-16/h10-12,15-16,18-20,27H,5-9,13-14H2,1-4H3,(H,33,39)(H,34,37)(H,35,38).

What are the key properties of tert-butyl N-[1-[4-[[2-(cyclobutyloxycarbonylamino)cyclopropyl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl]carbamate?

tert-butyl N-[1-[4-[[2-(cyclobutyloxycarbonylamino)cyclopropyl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl]carbamate has a molecular weight of 620.65 g/mol, XLogP of 5.47, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[4-[[2-(cyclobutyloxycarbonylamino)cyclopropyl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl]carbamate is sourced from PubChem (CID 175092755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).