N-[[(5S)-2-oxo-3-[4-(1H-pyrrole-2-carbonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide

C17H17N3O4 — CID 57081651

IUPACN-[[(5S)-2-oxo-3-[4-(1H-pyrrole-2-carbonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C(=O)c3ccc[nH]3)cc2)C(=O)O1
InChIInChI=1S/C17H17N3O4/c1-11(21)19-9-14-10-20(17(23)24-14)13-6-4-12(5-7-13)16(22)15-3-2-8-18-15/h2-8,14,18H,9-10H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyIYSDOEHICLVOJJ-AWEZNQCLSA-N
MW327.34 g/mol
LogP1.71
Rot. Bonds5

About N-[[(5S)-2-oxo-3-[4-(1H-pyrrole-2-carbonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-2-oxo-3-[4-(1H-pyrrole-2-carbonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 57081651) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[[(5S)-2-oxo-3-[4-(1H-pyrrole-2-carbonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-2-oxo-3-[4-(1H-pyrrole-2-carbonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID57081651
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-[[(5S)-2-oxo-3-[4-(1H-pyrrole-2-carbonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C(=O)c3ccc[nH]3)cc2)C(=O)O1
InChIInChI=1S/C17H17N3O4/c1-11(21)19-9-14-10-20(17(23)24-14)13-6-4-12(5-7-13)16(22)15-3-2-8-18-15/h2-8,14,18H,9-10H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyIYSDOEHICLVOJJ-AWEZNQCLSA-N
XLogP1.71
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(5S)-2-oxo-3-[4-(1H-pyrrole-2-carbonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[(5S)-3-[4-[3-(2-hydroxyacetyl)-1H-pyrrole-2-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70284148
ethyl 4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoate
CID 14809103
N-[[3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68698825
N-[[(5R)-3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54472628
N-[[2-oxo-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21462605
N-[[(5R)-3-[4-(1-hydroxyethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 151762391
but-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide
CID 90796180
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
N-[(3-naphthalen-2-yl-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide
CID 19012489
N-[[2-oxo-3-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987746
N-[[(5S)-3-[4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 638803
N-[[(5R)-3-(4-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54256476

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-2-oxo-3-[4-(1H-pyrrole-2-carbonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-2-oxo-3-[4-(1H-pyrrole-2-carbonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide (CID 57081651) is N-[[(5S)-2-oxo-3-[4-(1H-pyrrole-2-carbonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-2-oxo-3-[4-(1H-pyrrole-2-carbonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-2-oxo-3-[4-(1H-pyrrole-2-carbonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(C(=O)c3ccc[nH]3)cc2)C(=O)O1.
What is the InChIKey of N-[[(5S)-2-oxo-3-[4-(1H-pyrrole-2-carbonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is IYSDOEHICLVOJJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-11(21)19-9-14-10-20(17(23)24-14)13-6-4-12(5-7-13)16(22)15-3-2-8-18-15/h2-8,14,18H,9-10H2,1H3,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[[(5S)-2-oxo-3-[4-(1H-pyrrole-2-carbonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-2-oxo-3-[4-(1H-pyrrole-2-carbonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 327.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-2-oxo-3-[4-(1H-pyrrole-2-carbonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 57081651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).