2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-formylanilino]ethyl formate

C16H19N3O6 — CID 22298024

IUPAC2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-formylanilino]ethyl formate
SMILESCC(=O)NCC1CN(c2ccc(N(C=O)CCOC=O)cc2)C(=O)O1
InChIInChI=1S/C16H19N3O6/c1-12(22)17-8-15-9-19(16(23)25-15)14-4-2-13(3-5-14)18(10-20)6-7-24-11-21/h2-5,10-11,15H,6-9H2,1H3,(H,17,22)
InChIKeyNRTRDOUIQKIDMM-UHFFFAOYSA-N
MW349.34 g/mol
LogP0.28
Rot. Bonds9

About 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-formylanilino]ethyl formate

2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-formylanilino]ethyl formate (PubChem CID 22298024) has the molecular formula C16H19N3O6 and a molecular weight of 349.34 g/mol. Its IUPAC name is 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-formylanilino]ethyl formate.

Molecular Properties

Compound Name2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-formylanilino]ethyl formate
PubChem CID22298024
Molecular FormulaC16H19N3O6
Molecular Weight349.34 g/mol
Exact Mass349.13
IUPAC Name2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-formylanilino]ethyl formate
SMILESCC(=O)NCC1CN(c2ccc(N(C=O)CCOC=O)cc2)C(=O)O1
InChIInChI=1S/C16H19N3O6/c1-12(22)17-8-15-9-19(16(23)25-15)14-4-2-13(3-5-14)18(10-20)6-7-24-11-21/h2-5,10-11,15H,6-9H2,1H3,(H,17,22)
InChIKeyNRTRDOUIQKIDMM-UHFFFAOYSA-N
XLogP0.28
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-(chloromethylsulfanyl)-N-[[3-[4-[2-ethoxyethyl(formyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pent-2-enamide
CID 166685633
N-[[3-[4-(4-formylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987724
ethyl 4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoate
CID 14809103
N-[[(5R)-3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54472628
N-[[3-[4-(2-hydroxyethylsulfanyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14011393
N-[[2-oxo-3-[4-(3-oxoprop-1-enyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54536616
N-[[(5R)-3-(4-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54256476
N-[[(5R)-3-[4-(1-hydroxyethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 151762391
N-[[3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68698825
N-[[3-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987758
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
N-[[2-oxo-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21462605

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-formylanilino]ethyl formate?
The IUPAC name of 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-formylanilino]ethyl formate (CID 22298024) is 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-formylanilino]ethyl formate.
What is the SMILES notation for 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-formylanilino]ethyl formate?
The canonical SMILES for 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-formylanilino]ethyl formate is CC(=O)NCC1CN(c2ccc(N(C=O)CCOC=O)cc2)C(=O)O1.
What is the InChIKey of 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-formylanilino]ethyl formate?
The InChIKey is NRTRDOUIQKIDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O6/c1-12(22)17-8-15-9-19(16(23)25-15)14-4-2-13(3-5-14)18(10-20)6-7-24-11-21/h2-5,10-11,15H,6-9H2,1H3,(H,17,22).
What are the key properties of 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-formylanilino]ethyl formate?
2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-formylanilino]ethyl formate has a molecular weight of 349.34 g/mol, XLogP of 0.28, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-formylanilino]ethyl formate is sourced from PubChem (CID 22298024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).