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

C10H9ClN2O4 — CID 43350343

IUPAC3-[(4-chloro-3-nitrophenyl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C10H9ClN2O4/c11-8-2-1-7(5-9(8)13(15)16)6-12-3-4-17-10(12)14/h1-2,5H,3-4,6H2
InChIKeyYIIJVRLYSJKZRE-UHFFFAOYSA-N
MW256.64 g/mol
LogP2.20
Rot. Bonds3

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

3-[(4-chloro-3-nitrophenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 43350343) has the molecular formula C10H9ClN2O4 and a molecular weight of 256.64 g/mol. Its IUPAC name is 3-[(4-chloro-3-nitrophenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(4-chloro-3-nitrophenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID43350343
Molecular FormulaC10H9ClN2O4
Molecular Weight256.64 g/mol
Exact Mass256.03
IUPAC Name3-[(4-chloro-3-nitrophenyl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C10H9ClN2O4/c11-8-2-1-7(5-9(8)13(15)16)6-12-3-4-17-10(12)14/h1-2,5H,3-4,6H2
InChIKeyYIIJVRLYSJKZRE-UHFFFAOYSA-N
XLogP2.20
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.64
LogP ≤ 52.20
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

methyl 2-nitro-5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzoate
CID 67527895
4-[(4-chloro-3-nitrophenyl)methyl]-2-methylmorpholine
CID 43350266
2-[(4-chloro-3-nitrophenyl)methyl]isoindole-1,3-dione
CID 18621850
[1-[(4-chloro-3-nitrophenyl)methyl]piperidin-2-yl]methanol
CID 61406447
[1-[(4-chloro-3-nitrophenyl)methyl]azepan-2-yl]methanol
CID 116634418
2-[(4-chloro-3-nitrophenyl)methyl]pyridazin-3-one
CID 62849253
1-[(4-chloro-3-nitrophenyl)methyl]-2,6-dimethylpiperidine
CID 43169156
1-[(4-chloro-3-nitrophenyl)methyl]-4-ethyl-4-methylpiperidine
CID 63480223
2-[(4-chloro-3-nitrophenyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 43620358
3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1,3-oxazolidin-2-one
CID 68789482
1-[(4-chloro-3-nitrophenyl)methyl]-3-methylpiperazine
CID 113335445
1-[(4-chloro-3-nitrophenyl)methyl]-3H-indol-2-one
CID 43350321

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3-nitrophenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(4-chloro-3-nitrophenyl)methyl]-1,3-oxazolidin-2-one (CID 43350343) is 3-[(4-chloro-3-nitrophenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(4-chloro-3-nitrophenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(4-chloro-3-nitrophenyl)methyl]-1,3-oxazolidin-2-one is O=C1OCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 3-[(4-chloro-3-nitrophenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is YIIJVRLYSJKZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O4/c11-8-2-1-7(5-9(8)13(15)16)6-12-3-4-17-10(12)14/h1-2,5H,3-4,6H2.
What are the key properties of 3-[(4-chloro-3-nitrophenyl)methyl]-1,3-oxazolidin-2-one?
3-[(4-chloro-3-nitrophenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 256.64 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-3-nitrophenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 43350343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).