N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide

C20H13FN4O6 — CID 55993523

IUPACN-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C20H13FN4O6/c21-12-1-5-15(6-2-12)30-19-8-3-13(10-22-19)23-18(26)11-24-16-7-4-14(25(28)29)9-17(16)31-20(24)27/h1-10H,11H2,(H,23,26)
InChIKeyGYPLYWIIZNIZOT-UHFFFAOYSA-N
MW424.34 g/mol
LogP3.47
Rot. Bonds6

About N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 55993523) has the molecular formula C20H13FN4O6 and a molecular weight of 424.34 g/mol. Its IUPAC name is N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID55993523
Molecular FormulaC20H13FN4O6
Molecular Weight424.34 g/mol
Exact Mass424.08
IUPAC NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C20H13FN4O6/c21-12-1-5-15(6-2-12)30-19-8-3-13(10-22-19)23-18(26)11-24-16-7-4-14(25(28)29)9-17(16)31-20(24)27/h1-10H,11H2,(H,23,26)
InChIKeyGYPLYWIIZNIZOT-UHFFFAOYSA-N
XLogP3.47
TPSA129.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

N-(4-methoxyphenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 9402501
N-(4-bromophenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 9400129
N-(2,4-difluorophenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 9408977
N-(3-acetamidophenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55363066
N-(4-butylphenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 9404142
N-(3-cyclopentyloxyphenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55563967
N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55366052
N-[4-(2-chlorophenoxy)phenyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 24529865
2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-piperidin-1-ylacetamide
CID 9271920
N-[1-(2,4-difluorophenyl)ethyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55364480
2-[6-(diethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(4-fluorophenyl)acetamide
CID 19260066
N-(3-fluorophenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 27825104

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 55993523) is N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide is O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(Oc2ccc(F)cc2)nc1.
What is the InChIKey of N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is GYPLYWIIZNIZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4O6/c21-12-1-5-15(6-2-12)30-19-8-3-13(10-22-19)23-18(26)11-24-16-7-4-14(25(28)29)9-17(16)31-20(24)27/h1-10H,11H2,(H,23,26).
What are the key properties of N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 424.34 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 55993523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).