4-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)butanamide

C13H15N3O6 — CID 162648440

IUPAC4-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)butanamide
SMILESO=C(CCCOc1ccc([N+](=O)[O-])cc1)NN1CCOC1=O
InChIInChI=1S/C13H15N3O6/c17-12(14-15-7-9-22-13(15)18)2-1-8-21-11-5-3-10(4-6-11)16(19)20/h3-6H,1-2,7-9H2,(H,14,17)
InChIKeyCSUZBMVEAWUCQU-UHFFFAOYSA-N
MW309.28 g/mol
LogP1.24
Rot. Bonds7

About 4-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)butanamide

4-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)butanamide (PubChem CID 162648440) has the molecular formula C13H15N3O6 and a molecular weight of 309.28 g/mol. Its IUPAC name is 4-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)butanamide.

Molecular Properties

Compound Name4-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)butanamide
PubChem CID162648440
Molecular FormulaC13H15N3O6
Molecular Weight309.28 g/mol
Exact Mass309.10
IUPAC Name4-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)butanamide
SMILESO=C(CCCOc1ccc([N+](=O)[O-])cc1)NN1CCOC1=O
InChIInChI=1S/C13H15N3O6/c17-12(14-15-7-9-22-13(15)18)2-1-8-21-11-5-3-10(4-6-11)16(19)20/h3-6H,1-2,7-9H2,(H,14,17)
InChIKeyCSUZBMVEAWUCQU-UHFFFAOYSA-N
XLogP1.24
TPSA111.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-Nitrophenoxyacetic acid hydrazide
CID 156556
1-(2-(4-Nitrophenoxy)acetyl)pyrrolidin-2-one
CID 482237
(S)-2-(4-nitrophenoxy)-N-(2-oxotetrahydrofuran-3-yl)acetamide
CID 44581741
5-[(4-Nitrophenoxy)methyl]-1,3-oxazolidin-2-one
CID 340061
(4-Nitrophenyl) 2-(butanoylamino)acetate
CID 14608141
1-[(4S)-2,2-dimethyl-4-[(4-nitrophenoxy)methyl]-1,3-oxazolidin-3-yl]ethanone
CID 74223665
tert-butyl (4S)-4-[(4-nitrophenoxy)methyl]-1,3-oxazolidine-3-carboxylate
CID 145962357
7-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide
CID 162645104
1-[(4-Nitrophenoxy)acetyl]pyrrolidine
CID 675693
2-(4-nitrophenoxy)-N-(prop-2-en-1-yl)acetamide
CID 2203647
1-(2-(4-Nitrophenoxy)ethyl)pyrrolidin-2-one
CID 23274814
2-(4-Nitrophenoxy)propanohydrazide
CID 3727013

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)butanamide?
The IUPAC name of 4-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)butanamide (CID 162648440) is 4-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)butanamide.
What is the SMILES notation for 4-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)butanamide?
The canonical SMILES for 4-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)butanamide is O=C(CCCOc1ccc([N+](=O)[O-])cc1)NN1CCOC1=O.
What is the InChIKey of 4-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)butanamide?
The InChIKey is CSUZBMVEAWUCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O6/c17-12(14-15-7-9-22-13(15)18)2-1-8-21-11-5-3-10(4-6-11)16(19)20/h3-6H,1-2,7-9H2,(H,14,17).
What are the key properties of 4-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)butanamide?
4-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)butanamide has a molecular weight of 309.28 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)butanamide is sourced from PubChem (CID 162648440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).