2-[(2S)-3-(1-methylpyrrol-2-yl)-2-phenylpropanoyl]-1,2-oxazolidin-3-one

C17H18N2O3 — CID 102026623

IUPAC2-[(2S)-3-(1-methylpyrrol-2-yl)-2-phenylpropanoyl]-1,2-oxazolidin-3-one
SMILESCn1cccc1C[C@H](C(=O)N1OCCC1=O)c1ccccc1
InChIInChI=1S/C17H18N2O3/c1-18-10-5-8-14(18)12-15(13-6-3-2-4-7-13)17(21)19-16(20)9-11-22-19/h2-8,10,15H,9,11-12H2,1H3/t15-/m0/s1
InChIKeyQAWVVAJKOCOESX-HNNXBMFYSA-N
MW298.34 g/mol
LogP2.04
Rot. Bonds4

About 2-[(2S)-3-(1-methylpyrrol-2-yl)-2-phenylpropanoyl]-1,2-oxazolidin-3-one

2-[(2S)-3-(1-methylpyrrol-2-yl)-2-phenylpropanoyl]-1,2-oxazolidin-3-one (PubChem CID 102026623) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[(2S)-3-(1-methylpyrrol-2-yl)-2-phenylpropanoyl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[(2S)-3-(1-methylpyrrol-2-yl)-2-phenylpropanoyl]-1,2-oxazolidin-3-one
PubChem CID102026623
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-[(2S)-3-(1-methylpyrrol-2-yl)-2-phenylpropanoyl]-1,2-oxazolidin-3-one
SMILESCn1cccc1C[C@H](C(=O)N1OCCC1=O)c1ccccc1
InChIInChI=1S/C17H18N2O3/c1-18-10-5-8-14(18)12-15(13-6-3-2-4-7-13)17(21)19-16(20)9-11-22-19/h2-8,10,15H,9,11-12H2,1H3/t15-/m0/s1
InChIKeyQAWVVAJKOCOESX-HNNXBMFYSA-N
XLogP2.04
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-(1-methylpyrrol-2-yl)-2-phenylpropanoyl]-1,2-oxazolidin-3-one?
The IUPAC name of 2-[(2S)-3-(1-methylpyrrol-2-yl)-2-phenylpropanoyl]-1,2-oxazolidin-3-one (CID 102026623) is 2-[(2S)-3-(1-methylpyrrol-2-yl)-2-phenylpropanoyl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[(2S)-3-(1-methylpyrrol-2-yl)-2-phenylpropanoyl]-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[(2S)-3-(1-methylpyrrol-2-yl)-2-phenylpropanoyl]-1,2-oxazolidin-3-one is Cn1cccc1C[C@H](C(=O)N1OCCC1=O)c1ccccc1.
What is the InChIKey of 2-[(2S)-3-(1-methylpyrrol-2-yl)-2-phenylpropanoyl]-1,2-oxazolidin-3-one?
The InChIKey is QAWVVAJKOCOESX-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-18-10-5-8-14(18)12-15(13-6-3-2-4-7-13)17(21)19-16(20)9-11-22-19/h2-8,10,15H,9,11-12H2,1H3/t15-/m0/s1.
What are the key properties of 2-[(2S)-3-(1-methylpyrrol-2-yl)-2-phenylpropanoyl]-1,2-oxazolidin-3-one?
2-[(2S)-3-(1-methylpyrrol-2-yl)-2-phenylpropanoyl]-1,2-oxazolidin-3-one has a molecular weight of 298.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-(1-methylpyrrol-2-yl)-2-phenylpropanoyl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 102026623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).