3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1,3-oxazolidin-2-one

C17H16N2O5 — CID 68789482

IUPAC3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(CN2CCOC2=O)cc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H16N2O5/c1-23-16-6-5-12(11-18-7-8-24-17(18)20)9-15(16)13-3-2-4-14(10-13)19(21)22/h2-6,9-10H,7-8,11H2,1H3
InChIKeyFOMVLQDEBWSUCZ-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.22
Rot. Bonds5

About 3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1,3-oxazolidin-2-one

3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 68789482) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is 3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID68789482
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(CN2CCOC2=O)cc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H16N2O5/c1-23-16-6-5-12(11-18-7-8-24-17(18)20)9-15(16)13-3-2-4-14(10-13)19(21)22/h2-6,9-10H,7-8,11H2,1H3
InChIKeyFOMVLQDEBWSUCZ-UHFFFAOYSA-N
XLogP3.22
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 68790620
2-[4-methoxy-3-(3-nitrophenyl)phenyl]acetonitrile
CID 68788538
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]pyrrolidin-2-one;(4S)-4-hydroxy-1-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]pyrrolidin-2-one;oxolane
CID 162077055
1-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-6-oxopyridine-3-carboxamide
CID 58020009
2-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]phenol
CID 68788738
(5S)-5-(azidomethyl)-1-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]pyrrolidin-2-one
CID 58020029
1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]imidazolidin-2-one
CID 89122415
3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one
CID 58019968
methyl 2-nitro-5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzoate
CID 67527895
2-amino-7-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1H-purin-6-one
CID 135884531
tert-butyl N-[1-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-2-oxo-4-pyridinyl]carbamate
CID 58019936
[3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]imidazol-4-yl]methanol;methyl 3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]imidazole-4-carboxylate;oxolane
CID 158094713

Frequently Asked Questions

What is the IUPAC name of 3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1,3-oxazolidin-2-one (CID 68789482) is 3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1,3-oxazolidin-2-one is COc1ccc(CN2CCOC2=O)cc1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is FOMVLQDEBWSUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-23-16-6-5-12(11-18-7-8-24-17(18)20)9-15(16)13-3-2-4-14(10-13)19(21)22/h2-6,9-10H,7-8,11H2,1H3.
What are the key properties of 3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1,3-oxazolidin-2-one?
3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 328.32 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 68789482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).