3-fluoro-4-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide

C16H13FN4O4 — CID 136666505

IUPAC3-fluoro-4-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2nc(-c3ccc[nH]c3=O)no2)cc1F
InChIInChI=1S/C16H13FN4O4/c1-24-12-5-4-9(7-11(12)17)15(22)19-8-13-20-14(21-25-13)10-3-2-6-18-16(10)23/h2-7H,8H2,1H3,(H,18,23)(H,19,22)
InChIKeyNFYOILQWWJQIIE-UHFFFAOYSA-N
MW344.30 g/mol
LogP1.50
Rot. Bonds5

About 3-fluoro-4-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide

3-fluoro-4-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (PubChem CID 136666505) has the molecular formula C16H13FN4O4 and a molecular weight of 344.30 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
PubChem CID136666505
Molecular FormulaC16H13FN4O4
Molecular Weight344.30 g/mol
Exact Mass344.09
IUPAC Name3-fluoro-4-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2nc(-c3ccc[nH]c3=O)no2)cc1F
InChIInChI=1S/C16H13FN4O4/c1-24-12-5-4-9(7-11(12)17)15(22)19-8-13-20-14(21-25-13)10-3-2-6-18-16(10)23/h2-7H,8H2,1H3,(H,18,23)(H,19,22)
InChIKeyNFYOILQWWJQIIE-UHFFFAOYSA-N
XLogP1.50
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-4-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide with MolForge

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Related Compounds

3-chloro-4-fluoro-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 136666497
7-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-benzofuran-2-carboxamide
CID 136666450
N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 136666454
N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-5-carboxamide
CID 136967128
3-fluoro-4-methoxy-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 121022135
5-methyl-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
CID 137092974
N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide
CID 136666477
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-fluoro-4-methoxybenzoate
CID 8702810
N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]isoquinoline-1-carboxamide
CID 137092972
N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 136666510
ethyl 2-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]propanoate
CID 136962352
N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 136962336

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (CID 136666505) is 3-fluoro-4-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is COc1ccc(C(=O)NCc2nc(-c3ccc[nH]c3=O)no2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The InChIKey is NFYOILQWWJQIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O4/c1-24-12-5-4-9(7-11(12)17)15(22)19-8-13-20-14(21-25-13)10-3-2-6-18-16(10)23/h2-7H,8H2,1H3,(H,18,23)(H,19,22).
What are the key properties of 3-fluoro-4-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
3-fluoro-4-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide has a molecular weight of 344.30 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 136666505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).