(3R)-1'-[1-[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one

C27H28N2O5 — CID 66662091

IUPAC(3R)-1'-[1-[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccc(C2(C(=O)N3CC[C@@]4(C3)OC(=O)c3ccccc34)CC2)cc1
InChIInChI=1S/C27H28N2O5/c1-17(2)22-15-33-25(32)29(22)19-9-7-18(8-10-19)26(11-12-26)24(31)28-14-13-27(16-28)21-6-4-3-5-20(21)23(30)34-27/h3-10,17,22H,11-16H2,1-2H3/t22-,27+/m1/s1
InChIKeyNRZQYNZLQXGQGQ-AMGIVPHBSA-N
MW460.53 g/mol
LogP4.00
Rot. Bonds4

About (3R)-1'-[1-[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one

(3R)-1'-[1-[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one (PubChem CID 66662091) has the molecular formula C27H28N2O5 and a molecular weight of 460.53 g/mol. Its IUPAC name is (3R)-1'-[1-[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one.

Molecular Properties

Compound Name(3R)-1'-[1-[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
PubChem CID66662091
Molecular FormulaC27H28N2O5
Molecular Weight460.53 g/mol
Exact Mass460.20
IUPAC Name(3R)-1'-[1-[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccc(C2(C(=O)N3CC[C@@]4(C3)OC(=O)c3ccccc34)CC2)cc1
InChIInChI=1S/C27H28N2O5/c1-17(2)22-15-33-25(32)29(22)19-9-7-18(8-10-19)26(11-12-26)24(31)28-14-13-27(16-28)21-6-4-3-5-20(21)23(30)34-27/h3-10,17,22H,11-16H2,1-2H3/t22-,27+/m1/s1
InChIKeyNRZQYNZLQXGQGQ-AMGIVPHBSA-N
XLogP4.00
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-1'-[1-[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-1'-[1-[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The IUPAC name of (3R)-1'-[1-[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one (CID 66662091) is (3R)-1'-[1-[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one.
What is the SMILES notation for (3R)-1'-[1-[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The canonical SMILES for (3R)-1'-[1-[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one is CC(C)[C@H]1COC(=O)N1c1ccc(C2(C(=O)N3CC[C@@]4(C3)OC(=O)c3ccccc34)CC2)cc1.
What is the InChIKey of (3R)-1'-[1-[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The InChIKey is NRZQYNZLQXGQGQ-AMGIVPHBSA-N. The full InChI is InChI=1S/C27H28N2O5/c1-17(2)22-15-33-25(32)29(22)19-9-7-18(8-10-19)26(11-12-26)24(31)28-14-13-27(16-28)21-6-4-3-5-20(21)23(30)34-27/h3-10,17,22H,11-16H2,1-2H3/t22-,27+/m1/s1.
What are the key properties of (3R)-1'-[1-[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
(3R)-1'-[1-[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one has a molecular weight of 460.53 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-[1-[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one is sourced from PubChem (CID 66662091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).