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

C26H30F2N4O7 — CID 175092748

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

[(1S)-1-[4-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl] carbamate (PubChem CID 175092748) has the molecular formula C26H30F2N4O7 and a molecular weight of 548.54 g/mol. Its IUPAC name is [(1S)-1-[4-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl] carbamate.

Molecular Properties

• Compound Name: [(1S)-1-[4-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl] carbamate
• PubChem CID: 175092748
• Molecular Formula: C26H30F2N4O7
• Molecular Weight: 548.54 g/mol
• Exact Mass: 548.21
• IUPAC Name: [(1S)-1-[4-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl] carbamate
• SMILES: C[C@H](OC(N)=O)c1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)NC1CCN(C(=O)C2CC2)C1
• InChI: InChI=1S/C26H30F2N4O7/c1-13(37-26(29)35)21-20(22(33)30-17-8-9-32(11-17)24(34)15-4-5-15)31-23(39-21)16-6-7-18(38-25(27)28)19(10-16)36-12-14-2-3-14/h6-7,10,13-15,17,25H,2-5,8-9,11-12H2,1H3,(H2,29,35)(H,30,33)/t13-,17?/m0/s1
• InChIKey: GXSAMOMIFVSMAK-CWQZNGJJSA-N
• XLogP: 3.63
• TPSA: 146.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.54
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of [(1S)-1-[4-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl] carbamate (CID 175092748) is [(1S)-1-[4-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl] carbamate.

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

The canonical SMILES for [(1S)-1-[4-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl] carbamate is C[C@H](OC(N)=O)c1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)NC1CCN(C(=O)C2CC2)C1.

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

The InChIKey is GXSAMOMIFVSMAK-CWQZNGJJSA-N. The full InChI is InChI=1S/C26H30F2N4O7/c1-13(37-26(29)35)21-20(22(33)30-17-8-9-32(11-17)24(34)15-4-5-15)31-23(39-21)16-6-7-18(38-25(27)28)19(10-16)36-12-14-2-3-14/h6-7,10,13-15,17,25H,2-5,8-9,11-12H2,1H3,(H2,29,35)(H,30,33)/t13-,17?/m0/s1.

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

[(1S)-1-[4-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl] carbamate has a molecular weight of 548.54 g/mol, XLogP of 3.63, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S)-1-[4-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl] carbamate is sourced from PubChem (CID 175092748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).