4-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-2-one

C10H10N2O4 — CID 86166226

IUPAC4-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-2-one
SMILESCC1COC(=O)N1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H10N2O4/c1-7-6-16-10(13)11(7)8-2-4-9(5-3-8)12(14)15/h2-5,7H,6H2,1H3
InChIKeyVCLYWVHGKVJLTP-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.94
Rot. Bonds2

About 4-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-2-one

4-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-2-one (PubChem CID 86166226) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 4-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-2-one
PubChem CID86166226
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name4-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-2-one
SMILESCC1COC(=O)N1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H10N2O4/c1-7-6-16-10(13)11(7)8-2-4-9(5-3-8)12(14)15/h2-5,7H,6H2,1H3
InChIKeyVCLYWVHGKVJLTP-UHFFFAOYSA-N
XLogP1.94
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-(4-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 14268537
2-methyl-1-(4-nitrophenyl)-2,3-dihydroindole
CID 102141492
(2R,6R)-2,6-dimethyl-4-(4-nitrophenyl)morpholine
CID 7062388
(3S,7aR)-3-methyl-1-(4-nitrophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-a]imidazol-2-one
CID 11821375
4-nitro-3-phenyl-1,3-oxazolidin-2-one
CID 54515958
N-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-4-amine
CID 171513118
3-(4-nitrophenyl)-2-sulfanyl-1,3-thiazolidin-4-one
CID 141361496
4-methyl-3-(2-methylquinazolin-7-yl)-1,3-oxazolidin-2-one
CID 162747781
4-(2-hydroxyphenyl)-3-(4-nitrophenyl)-1,3-oxazetidin-2-one
CID 139218927
2,6-dimethyl-4-(4-nitrophenyl)piperazine-1-carboxylic acid
CID 22134719
[(3S,5S)-3,5-dimethylmorpholin-4-yl]-(4-nitrophenyl)methanone
CID 40622070
2-methyl-4-(4-nitrophenyl)morpholine
CID 71113420

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-2-one (CID 86166226) is 4-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-2-one is CC1COC(=O)N1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-2-one?
The InChIKey is VCLYWVHGKVJLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-7-6-16-10(13)11(7)8-2-4-9(5-3-8)12(14)15/h2-5,7H,6H2,1H3.
What are the key properties of 4-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-2-one?
4-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-2-one has a molecular weight of 222.20 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 86166226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).