N-[[(5S)-2-oxo-3-(1-phenylpyrrol-3-yl)-1,3-oxazolidin-5-yl]methyl]acetamide

C16H17N3O3 — CID 5273687

IUPACN-[[(5S)-2-oxo-3-(1-phenylpyrrol-3-yl)-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccn(-c3ccccc3)c2)C(=O)O1
InChIInChI=1S/C16H17N3O3/c1-12(20)17-9-15-11-19(16(21)22-15)14-7-8-18(10-14)13-5-3-2-4-6-13/h2-8,10,15H,9,11H2,1H3,(H,17,20)/t15-/m0/s1
InChIKeyPIRXDJCIXTWIJG-HNNXBMFYSA-N
MW299.33 g/mol
LogP1.94
Rot. Bonds4

About N-[[(5S)-2-oxo-3-(1-phenylpyrrol-3-yl)-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-2-oxo-3-(1-phenylpyrrol-3-yl)-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 5273687) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[[(5S)-2-oxo-3-(1-phenylpyrrol-3-yl)-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-2-oxo-3-(1-phenylpyrrol-3-yl)-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID5273687
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[[(5S)-2-oxo-3-(1-phenylpyrrol-3-yl)-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccn(-c3ccccc3)c2)C(=O)O1
InChIInChI=1S/C16H17N3O3/c1-12(20)17-9-15-11-19(16(21)22-15)14-7-8-18(10-14)13-5-3-2-4-6-13/h2-8,10,15H,9,11H2,1H3,(H,17,20)/t15-/m0/s1
InChIKeyPIRXDJCIXTWIJG-HNNXBMFYSA-N
XLogP1.94
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-2-oxo-3-(1-phenylpyrrol-3-yl)-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-2-oxo-3-(1-phenylpyrrol-3-yl)-1,3-oxazolidin-5-yl]methyl]acetamide (CID 5273687) is N-[[(5S)-2-oxo-3-(1-phenylpyrrol-3-yl)-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-2-oxo-3-(1-phenylpyrrol-3-yl)-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-2-oxo-3-(1-phenylpyrrol-3-yl)-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccn(-c3ccccc3)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-2-oxo-3-(1-phenylpyrrol-3-yl)-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is PIRXDJCIXTWIJG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-12(20)17-9-15-11-19(16(21)22-15)14-7-8-18(10-14)13-5-3-2-4-6-13/h2-8,10,15H,9,11H2,1H3,(H,17,20)/t15-/m0/s1.
What are the key properties of N-[[(5S)-2-oxo-3-(1-phenylpyrrol-3-yl)-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-2-oxo-3-(1-phenylpyrrol-3-yl)-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 299.33 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-2-oxo-3-(1-phenylpyrrol-3-yl)-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 5273687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).