4-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide

C17H16N4O4 — CID 138549857

IUPAC4-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(-c3noc(COC)n3)c2)ccn1
InChIInChI=1S/C17H16N4O4/c1-18-17(22)14-9-13(6-7-19-14)24-12-5-3-4-11(8-12)16-20-15(10-23-2)25-21-16/h3-9H,10H2,1-2H3,(H,18,22)
InChIKeyDTGIXLIIXXQDOQ-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.43
Rot. Bonds6

About 4-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide

4-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 138549857) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 4-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID138549857
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name4-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(-c3noc(COC)n3)c2)ccn1
InChIInChI=1S/C17H16N4O4/c1-18-17(22)14-9-13(6-7-19-14)24-12-5-3-4-11(8-12)16-20-15(10-23-2)25-21-16/h3-9H,10H2,1-2H3,(H,18,22)
InChIKeyDTGIXLIIXXQDOQ-UHFFFAOYSA-N
XLogP2.43
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-4-[4-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyridine-2-carboxamide
CID 142752190
4-[3-[[(4-methoxybenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 58858348
4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 59685040
1-[3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone
CID 112787991
N-[4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]acetamide
CID 17427274
N-methyl-4-[3-[[[2-(trifluoromethyl)benzoyl]amino]carbamoyl]phenoxy]pyridine-2-carboxamide
CID 11213278
4-[2-(hydroxymethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 107713393
4-[4-[(4-hydroxyphenyl)diazenyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 165438064
methyl 3-chloro-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoate
CID 55376476
3-(methoxymethyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 134042967
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-cyanobenzoate
CID 8018261
4-methyl-N-[2-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]ethyl]-2-phenylpyrimidine-5-carboxamide
CID 25050082

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide (CID 138549857) is 4-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2cccc(-c3noc(COC)n3)c2)ccn1.
What is the InChIKey of 4-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is DTGIXLIIXXQDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-18-17(22)14-9-13(6-7-19-14)24-12-5-3-4-11(8-12)16-20-15(10-23-2)25-21-16/h3-9H,10H2,1-2H3,(H,18,22).
What are the key properties of 4-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide?
4-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 340.34 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 138549857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).