4-[(2-hydroxy-5-nitrophenyl)methylamino]-1,2-oxazolidin-3-one

C10H11N3O5 — CID 541549

IUPAC4-[(2-hydroxy-5-nitrophenyl)methylamino]-1,2-oxazolidin-3-one
SMILESO=C1NOCC1NCc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C10H11N3O5/c14-9-2-1-7(13(16)17)3-6(9)4-11-8-5-18-12-10(8)15/h1-3,8,11,14H,4-5H2,(H,12,15)
InChIKeyLFFVUGRMAAADDX-UHFFFAOYSA-N
MW253.21 g/mol
LogP-0.18
Rot. Bonds4

About 4-[(2-hydroxy-5-nitrophenyl)methylamino]-1,2-oxazolidin-3-one

4-[(2-hydroxy-5-nitrophenyl)methylamino]-1,2-oxazolidin-3-one (PubChem CID 541549) has the molecular formula C10H11N3O5 and a molecular weight of 253.21 g/mol. Its IUPAC name is 4-[(2-hydroxy-5-nitrophenyl)methylamino]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name4-[(2-hydroxy-5-nitrophenyl)methylamino]-1,2-oxazolidin-3-one
PubChem CID541549
Molecular FormulaC10H11N3O5
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Name4-[(2-hydroxy-5-nitrophenyl)methylamino]-1,2-oxazolidin-3-one
SMILESO=C1NOCC1NCc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C10H11N3O5/c14-9-2-1-7(13(16)17)3-6(9)4-11-8-5-18-12-10(8)15/h1-3,8,11,14H,4-5H2,(H,12,15)
InChIKeyLFFVUGRMAAADDX-UHFFFAOYSA-N
XLogP-0.18
TPSA113.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-5-nitrophenyl)methylamino]-1,2-oxazolidin-3-one?
The IUPAC name of 4-[(2-hydroxy-5-nitrophenyl)methylamino]-1,2-oxazolidin-3-one (CID 541549) is 4-[(2-hydroxy-5-nitrophenyl)methylamino]-1,2-oxazolidin-3-one.
What is the SMILES notation for 4-[(2-hydroxy-5-nitrophenyl)methylamino]-1,2-oxazolidin-3-one?
The canonical SMILES for 4-[(2-hydroxy-5-nitrophenyl)methylamino]-1,2-oxazolidin-3-one is O=C1NOCC1NCc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 4-[(2-hydroxy-5-nitrophenyl)methylamino]-1,2-oxazolidin-3-one?
The InChIKey is LFFVUGRMAAADDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5/c14-9-2-1-7(13(16)17)3-6(9)4-11-8-5-18-12-10(8)15/h1-3,8,11,14H,4-5H2,(H,12,15).
What are the key properties of 4-[(2-hydroxy-5-nitrophenyl)methylamino]-1,2-oxazolidin-3-one?
4-[(2-hydroxy-5-nitrophenyl)methylamino]-1,2-oxazolidin-3-one has a molecular weight of 253.21 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-5-nitrophenyl)methylamino]-1,2-oxazolidin-3-one is sourced from PubChem (CID 541549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).