(4S)-3-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]-4-phenyl-1,3-oxazolidin-2-one

C30H32N4O4 — CID 74227623

IUPAC(4S)-3-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(CN1C(=O)OC[C@@H]1c1ccccc1)N1CCC2(CCN(C(=O)c3ccccc3-n3cccc3)CC2)C1
InChIInChI=1S/C30H32N4O4/c35-27(20-34-26(21-38-29(34)37)23-8-2-1-3-9-23)33-19-14-30(22-33)12-17-32(18-13-30)28(36)24-10-4-5-11-25(24)31-15-6-7-16-31/h1-11,15-16,26H,12-14,17-22H2/t26-/m1/s1
InChIKeyHIJROKTYYQDGDX-AREMUKBSSA-N
MW512.61 g/mol
LogP4.13
Rot. Bonds5

About (4S)-3-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 74227623) has the molecular formula C30H32N4O4 and a molecular weight of 512.61 g/mol. Its IUPAC name is (4S)-3-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID74227623
Molecular FormulaC30H32N4O4
Molecular Weight512.61 g/mol
Exact Mass512.24
IUPAC Name(4S)-3-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(CN1C(=O)OC[C@@H]1c1ccccc1)N1CCC2(CCN(C(=O)c3ccccc3-n3cccc3)CC2)C1
InChIInChI=1S/C30H32N4O4/c35-27(20-34-26(21-38-29(34)37)23-8-2-1-3-9-23)33-19-14-30(22-33)12-17-32(18-13-30)28(36)24-10-4-5-11-25(24)31-15-6-7-16-31/h1-11,15-16,26H,12-14,17-22H2/t26-/m1/s1
InChIKeyHIJROKTYYQDGDX-AREMUKBSSA-N
XLogP4.13
TPSA75.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.61
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S)-3-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]-4-phenyl-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]-4-phenyl-1,3-oxazolidin-2-one (CID 74227623) is (4S)-3-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]-4-phenyl-1,3-oxazolidin-2-one is O=C(CN1C(=O)OC[C@@H]1c1ccccc1)N1CCC2(CCN(C(=O)c3ccccc3-n3cccc3)CC2)C1.
What is the InChIKey of (4S)-3-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is HIJROKTYYQDGDX-AREMUKBSSA-N. The full InChI is InChI=1S/C30H32N4O4/c35-27(20-34-26(21-38-29(34)37)23-8-2-1-3-9-23)33-19-14-30(22-33)12-17-32(18-13-30)28(36)24-10-4-5-11-25(24)31-15-6-7-16-31/h1-11,15-16,26H,12-14,17-22H2/t26-/m1/s1.
What are the key properties of (4S)-3-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 512.61 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 74227623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).