1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide

C14H9FN4O5 — CID 71921248

IUPAC1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cn(Cc2nc3cc(F)ccc3o2)c1=O
InChIInChI=1S/C14H9FN4O5/c15-7-1-2-11-10(3-7)17-12(24-11)6-18-5-8(19(22)23)4-9(13(16)20)14(18)21/h1-5H,6H2,(H2,16,20)
InChIKeyRPAYPYBZCHTNGS-UHFFFAOYSA-N
MW332.25 g/mol
LogP1.18
Rot. Bonds4

About 1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide

1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide (PubChem CID 71921248) has the molecular formula C14H9FN4O5 and a molecular weight of 332.25 g/mol. Its IUPAC name is 1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide
PubChem CID71921248
Molecular FormulaC14H9FN4O5
Molecular Weight332.25 g/mol
Exact Mass332.06
IUPAC Name1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cn(Cc2nc3cc(F)ccc3o2)c1=O
InChIInChI=1S/C14H9FN4O5/c15-7-1-2-11-10(3-7)17-12(24-11)6-18-5-8(19(22)23)4-9(13(16)20)14(18)21/h1-5H,6H2,(H2,16,20)
InChIKeyRPAYPYBZCHTNGS-UHFFFAOYSA-N
XLogP1.18
TPSA134.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

5-nitro-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 36991794
5-acetyl-1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-3-methylpyrimidine-2,4-dione
CID 71969989
1-[3-(4-fluorophenoxy)propyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 39038188
5-nitro-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 34349709
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 35500675
1-(1,3-benzoxazol-2-ylmethyl)-5-nitropyridin-2-one
CID 38896135
1-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 39038454
1-[2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 34349994
1-[(2-anilino-1,3-thiazol-4-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 39040001
5-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one
CID 86785416
1-[(2R)-2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 94386546
2-(5-fluoro-1,3-benzoxazol-2-yl)-4-nitroaniline
CID 64792865

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide (CID 71921248) is 1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide is NC(=O)c1cc([N+](=O)[O-])cn(Cc2nc3cc(F)ccc3o2)c1=O.
What is the InChIKey of 1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide?
The InChIKey is RPAYPYBZCHTNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4O5/c15-7-1-2-11-10(3-7)17-12(24-11)6-18-5-8(19(22)23)4-9(13(16)20)14(18)21/h1-5H,6H2,(H2,16,20).
What are the key properties of 1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide?
1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide has a molecular weight of 332.25 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 71921248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).