7-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide

C16H21N3O6 — CID 162645104

IUPAC7-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide
SMILESO=C(CCCCCCOc1ccc([N+](=O)[O-])cc1)NN1CCOC1=O
InChIInChI=1S/C16H21N3O6/c20-15(17-18-10-12-25-16(18)21)5-3-1-2-4-11-24-14-8-6-13(7-9-14)19(22)23/h6-9H,1-5,10-12H2,(H,17,20)
InChIKeyWIWDFZVFOZXDKF-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.41
Rot. Bonds10

About 7-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide

7-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide (PubChem CID 162645104) has the molecular formula C16H21N3O6 and a molecular weight of 351.36 g/mol. Its IUPAC name is 7-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide.

Molecular Properties

Compound Name7-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide
PubChem CID162645104
Molecular FormulaC16H21N3O6
Molecular Weight351.36 g/mol
Exact Mass351.14
IUPAC Name7-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide
SMILESO=C(CCCCCCOc1ccc([N+](=O)[O-])cc1)NN1CCOC1=O
InChIInChI=1S/C16H21N3O6/c20-15(17-18-10-12-25-16(18)21)5-3-1-2-4-11-24-14-8-6-13(7-9-14)19(22)23/h6-9H,1-5,10-12H2,(H,17,20)
InChIKeyWIWDFZVFOZXDKF-UHFFFAOYSA-N
XLogP2.41
TPSA111.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.41
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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Frequently Asked Questions

What is the IUPAC name of 7-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide?
The IUPAC name of 7-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide (CID 162645104) is 7-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide.
What is the SMILES notation for 7-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide?
The canonical SMILES for 7-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide is O=C(CCCCCCOc1ccc([N+](=O)[O-])cc1)NN1CCOC1=O.
What is the InChIKey of 7-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide?
The InChIKey is WIWDFZVFOZXDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O6/c20-15(17-18-10-12-25-16(18)21)5-3-1-2-4-11-24-14-8-6-13(7-9-14)19(22)23/h6-9H,1-5,10-12H2,(H,17,20).
What are the key properties of 7-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide?
7-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide has a molecular weight of 351.36 g/mol, XLogP of 2.41, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide is sourced from PubChem (CID 162645104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).