2-(2-fluorophenoxy)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

C16H13FN4O4 — CID 91818678

IUPAC2-(2-fluorophenoxy)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESO=C(COc1ccccc1F)NCc1nc(-c2cc[nH]c(=O)c2)no1
InChIInChI=1S/C16H13FN4O4/c17-11-3-1-2-4-12(11)24-9-14(23)19-8-15-20-16(21-25-15)10-5-6-18-13(22)7-10/h1-7H,8-9H2,(H,18,22)(H,19,23)
InChIKeyXQWURYPKXIMCAG-UHFFFAOYSA-N
MW344.30 g/mol
LogP1.26
Rot. Bonds6

About 2-(2-fluorophenoxy)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

2-(2-fluorophenoxy)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (PubChem CID 91818678) has the molecular formula C16H13FN4O4 and a molecular weight of 344.30 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
PubChem CID91818678
Molecular FormulaC16H13FN4O4
Molecular Weight344.30 g/mol
Exact Mass344.09
IUPAC Name2-(2-fluorophenoxy)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESO=C(COc1ccccc1F)NCc1nc(-c2cc[nH]c(=O)c2)no1
InChIInChI=1S/C16H13FN4O4/c17-11-3-1-2-4-12(11)24-9-14(23)19-8-15-20-16(21-25-15)10-5-6-18-13(22)7-10/h1-7H,8-9H2,(H,18,22)(H,19,23)
InChIKeyXQWURYPKXIMCAG-UHFFFAOYSA-N
XLogP1.26
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

(Z)-3-(2-fluorophenyl)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-enamide
CID 91818722
5-chloro-2-fluoro-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 91818700
2-(2-methylphenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 2997367
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 91818686
2-(2,4-dichlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 2986657
8-methoxy-2-oxo-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]chromene-3-carboxamide
CID 91818692
4-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 110632193
2-(2,5-dimethylphenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 2987985
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxyacetamide
CID 56687229
2-(2-fluorophenoxy)-N-(1H-pyrrol-2-ylmethyl)acetamide
CID 110488062
2-(3,5-dimethylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 1251850
2-(2-fluorophenoxy)-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132658091

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (CID 91818678) is 2-(2-fluorophenoxy)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is O=C(COc1ccccc1F)NCc1nc(-c2cc[nH]c(=O)c2)no1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The InChIKey is XQWURYPKXIMCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O4/c17-11-3-1-2-4-12(11)24-9-14(23)19-8-15-20-16(21-25-15)10-5-6-18-13(22)7-10/h1-7H,8-9H2,(H,18,22)(H,19,23).
What are the key properties of 2-(2-fluorophenoxy)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
2-(2-fluorophenoxy)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide has a molecular weight of 344.30 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 91818678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).