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

C19H19N3O6 — CID 70284148

IUPACN-[[(5S)-3-[4-[3-(2-hydroxyacetyl)-1H-pyrrole-2-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C(=O)c3[nH]ccc3C(=O)CO)cc2)C(=O)O1
InChIInChI=1S/C19H19N3O6/c1-11(24)21-8-14-9-22(19(27)28-14)13-4-2-12(3-5-13)18(26)17-15(6-7-20-17)16(25)10-23/h2-7,14,20,23H,8-10H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyOYSRFLOPLYVXDZ-AWEZNQCLSA-N
MW385.38 g/mol
LogP0.88
Rot. Bonds7

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

N-[[(5S)-3-[4-[3-(2-hydroxyacetyl)-1H-pyrrole-2-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 70284148) has the molecular formula C19H19N3O6 and a molecular weight of 385.38 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[3-(2-hydroxyacetyl)-1H-pyrrole-2-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[3-(2-hydroxyacetyl)-1H-pyrrole-2-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID70284148
Molecular FormulaC19H19N3O6
Molecular Weight385.38 g/mol
Exact Mass385.13
IUPAC NameN-[[(5S)-3-[4-[3-(2-hydroxyacetyl)-1H-pyrrole-2-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C(=O)c3[nH]ccc3C(=O)CO)cc2)C(=O)O1
InChIInChI=1S/C19H19N3O6/c1-11(24)21-8-14-9-22(19(27)28-14)13-4-2-12(3-5-13)18(26)17-15(6-7-20-17)16(25)10-23/h2-7,14,20,23H,8-10H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyOYSRFLOPLYVXDZ-AWEZNQCLSA-N
XLogP0.88
TPSA128.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(5S)-2-oxo-3-[4-(1H-pyrrole-2-carbonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57081651
N-[[(5R)-3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54472628
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-[[2-oxo-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21462605
N-[[(5S)-3-[4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 638803
N-[[(5R)-3-[4-(1-hydroxyethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 151762391
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
N-[[3-[4-(2-hydroxyethylsulfanyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14011393
N-[[2-oxo-3-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987746
N-[[(5R)-3-(4-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54256476
N-[[3-[4-(4-formylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987724

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[3-(2-hydroxyacetyl)-1H-pyrrole-2-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[3-(2-hydroxyacetyl)-1H-pyrrole-2-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 70284148) is N-[[(5S)-3-[4-[3-(2-hydroxyacetyl)-1H-pyrrole-2-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[3-(2-hydroxyacetyl)-1H-pyrrole-2-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[3-(2-hydroxyacetyl)-1H-pyrrole-2-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(C(=O)c3[nH]ccc3C(=O)CO)cc2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[3-(2-hydroxyacetyl)-1H-pyrrole-2-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is OYSRFLOPLYVXDZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19N3O6/c1-11(24)21-8-14-9-22(19(27)28-14)13-4-2-12(3-5-13)18(26)17-15(6-7-20-17)16(25)10-23/h2-7,14,20,23H,8-10H2,1H3,(H,21,24)/t14-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[3-(2-hydroxyacetyl)-1H-pyrrole-2-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[3-(2-hydroxyacetyl)-1H-pyrrole-2-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 385.38 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[3-(2-hydroxyacetyl)-1H-pyrrole-2-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 70284148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).