2-[(2S)-2-[(1-methylpyrrol-2-yl)methyl]-3-tri(propan-2-yl)silyloxypropanoyl]-1,2-oxazolidin-3-one

C21H36N2O4Si — CID 102026622

IUPAC2-[(2S)-2-[(1-methylpyrrol-2-yl)methyl]-3-tri(propan-2-yl)silyloxypropanoyl]-1,2-oxazolidin-3-one
SMILESCC(C)[Si](OC[C@H](Cc1cccn1C)C(=O)N1OCCC1=O)(C(C)C)C(C)C
InChIInChI=1S/C21H36N2O4Si/c1-15(2)28(16(3)4,17(5)6)27-14-18(13-19-9-8-11-22(19)7)21(25)23-20(24)10-12-26-23/h8-9,11,15-18H,10,12-14H2,1-7H3/t18-/m0/s1
InChIKeyYOEAXHJRYXHPNC-SFHVURJKSA-N
MW408.62 g/mol
LogP4.07
Rot. Bonds9

About 2-[(2S)-2-[(1-methylpyrrol-2-yl)methyl]-3-tri(propan-2-yl)silyloxypropanoyl]-1,2-oxazolidin-3-one

2-[(2S)-2-[(1-methylpyrrol-2-yl)methyl]-3-tri(propan-2-yl)silyloxypropanoyl]-1,2-oxazolidin-3-one (PubChem CID 102026622) has the molecular formula C21H36N2O4Si and a molecular weight of 408.62 g/mol. Its IUPAC name is 2-[(2S)-2-[(1-methylpyrrol-2-yl)methyl]-3-tri(propan-2-yl)silyloxypropanoyl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[(2S)-2-[(1-methylpyrrol-2-yl)methyl]-3-tri(propan-2-yl)silyloxypropanoyl]-1,2-oxazolidin-3-one
PubChem CID102026622
Molecular FormulaC21H36N2O4Si
Molecular Weight408.62 g/mol
Exact Mass408.24
IUPAC Name2-[(2S)-2-[(1-methylpyrrol-2-yl)methyl]-3-tri(propan-2-yl)silyloxypropanoyl]-1,2-oxazolidin-3-one
SMILESCC(C)[Si](OC[C@H](Cc1cccn1C)C(=O)N1OCCC1=O)(C(C)C)C(C)C
InChIInChI=1S/C21H36N2O4Si/c1-15(2)28(16(3)4,17(5)6)27-14-18(13-19-9-8-11-22(19)7)21(25)23-20(24)10-12-26-23/h8-9,11,15-18H,10,12-14H2,1-7H3/t18-/m0/s1
InChIKeyYOEAXHJRYXHPNC-SFHVURJKSA-N
XLogP4.07
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.62
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[(2S)-2-[(1-methylpyrrol-2-yl)methyl]-3-tri(propan-2-yl)silyloxypropanoyl]-1,2-oxazolidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[(1-methylpyrrol-2-yl)methyl]-3-tri(propan-2-yl)silyloxypropanoyl]-1,2-oxazolidin-3-one?
The IUPAC name of 2-[(2S)-2-[(1-methylpyrrol-2-yl)methyl]-3-tri(propan-2-yl)silyloxypropanoyl]-1,2-oxazolidin-3-one (CID 102026622) is 2-[(2S)-2-[(1-methylpyrrol-2-yl)methyl]-3-tri(propan-2-yl)silyloxypropanoyl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[(2S)-2-[(1-methylpyrrol-2-yl)methyl]-3-tri(propan-2-yl)silyloxypropanoyl]-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[(2S)-2-[(1-methylpyrrol-2-yl)methyl]-3-tri(propan-2-yl)silyloxypropanoyl]-1,2-oxazolidin-3-one is CC(C)[Si](OC[C@H](Cc1cccn1C)C(=O)N1OCCC1=O)(C(C)C)C(C)C.
What is the InChIKey of 2-[(2S)-2-[(1-methylpyrrol-2-yl)methyl]-3-tri(propan-2-yl)silyloxypropanoyl]-1,2-oxazolidin-3-one?
The InChIKey is YOEAXHJRYXHPNC-SFHVURJKSA-N. The full InChI is InChI=1S/C21H36N2O4Si/c1-15(2)28(16(3)4,17(5)6)27-14-18(13-19-9-8-11-22(19)7)21(25)23-20(24)10-12-26-23/h8-9,11,15-18H,10,12-14H2,1-7H3/t18-/m0/s1.
What are the key properties of 2-[(2S)-2-[(1-methylpyrrol-2-yl)methyl]-3-tri(propan-2-yl)silyloxypropanoyl]-1,2-oxazolidin-3-one?
2-[(2S)-2-[(1-methylpyrrol-2-yl)methyl]-3-tri(propan-2-yl)silyloxypropanoyl]-1,2-oxazolidin-3-one has a molecular weight of 408.62 g/mol, XLogP of 4.07, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[(1-methylpyrrol-2-yl)methyl]-3-tri(propan-2-yl)silyloxypropanoyl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 102026622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).