1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-dimethylphenyl]pyrrole-3-carboxylic acid

C19H21N3O5 — CID 54268401

IUPAC1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-dimethylphenyl]pyrrole-3-carboxylic acid
SMILESCC(=O)NC[C@H]1CN(c2cc(C)c(-n3ccc(C(=O)O)c3)c(C)c2)C(=O)O1
InChIInChI=1S/C19H21N3O5/c1-11-6-15(22-10-16(27-19(22)26)8-20-13(3)23)7-12(2)17(11)21-5-4-14(9-21)18(24)25/h4-7,9,16H,8,10H2,1-3H3,(H,20,23)(H,24,25)/t16-/m0/s1
InChIKeyRIKCDEBKSBLHSM-INIZCTEOSA-N
MW371.39 g/mol
LogP2.25
Rot. Bonds5

About 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-dimethylphenyl]pyrrole-3-carboxylic acid

1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-dimethylphenyl]pyrrole-3-carboxylic acid (PubChem CID 54268401) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-dimethylphenyl]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-dimethylphenyl]pyrrole-3-carboxylic acid
PubChem CID54268401
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-dimethylphenyl]pyrrole-3-carboxylic acid
SMILESCC(=O)NC[C@H]1CN(c2cc(C)c(-n3ccc(C(=O)O)c3)c(C)c2)C(=O)O1
InChIInChI=1S/C19H21N3O5/c1-11-6-15(22-10-16(27-19(22)26)8-20-13(3)23)7-12(2)17(11)21-5-4-14(9-21)18(24)25/h4-7,9,16H,8,10H2,1-3H3,(H,20,23)(H,24,25)/t16-/m0/s1
InChIKeyRIKCDEBKSBLHSM-INIZCTEOSA-N
XLogP2.25
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-dimethylphenyl]pyrrole-3-carboxylic acid with MolForge

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Related Compounds

N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
N-[[3-[1-(4-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21158002
but-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide
CID 90796180
N-[[3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68698825
N-[[3-(3,5-dimethyl-4-prop-2-ynoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18713381
N-[[(5S)-3-[3-fluoro-4-[3-[(E)-N'-hydroxycarbamimidoyl]pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 25050343
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
N-[[(5S)-3-(3,5-difluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methanol
CID 166748430
ethyl 4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoate
CID 14809103
N-[[3-[4-(1-hydroxyprop-2-ynyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18713384
N-[[(5S)-3-[3,5-dimethyl-4-(3-methylazetidin-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54057134
N-[[(5R)-3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54472628

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-dimethylphenyl]pyrrole-3-carboxylic acid?
The IUPAC name of 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-dimethylphenyl]pyrrole-3-carboxylic acid (CID 54268401) is 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-dimethylphenyl]pyrrole-3-carboxylic acid.
What is the SMILES notation for 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-dimethylphenyl]pyrrole-3-carboxylic acid?
The canonical SMILES for 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-dimethylphenyl]pyrrole-3-carboxylic acid is CC(=O)NC[C@H]1CN(c2cc(C)c(-n3ccc(C(=O)O)c3)c(C)c2)C(=O)O1.
What is the InChIKey of 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-dimethylphenyl]pyrrole-3-carboxylic acid?
The InChIKey is RIKCDEBKSBLHSM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-11-6-15(22-10-16(27-19(22)26)8-20-13(3)23)7-12(2)17(11)21-5-4-14(9-21)18(24)25/h4-7,9,16H,8,10H2,1-3H3,(H,20,23)(H,24,25)/t16-/m0/s1.
What are the key properties of 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-dimethylphenyl]pyrrole-3-carboxylic acid?
1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-dimethylphenyl]pyrrole-3-carboxylic acid has a molecular weight of 371.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-dimethylphenyl]pyrrole-3-carboxylic acid is sourced from PubChem (CID 54268401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).