4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide

C23H20N4O5 — CID 24822064

IUPAC4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(NCc4cccc5c4OCCO5)oc3c2)ccn1
InChIInChI=1S/C23H20N4O5/c1-24-22(28)18-11-16(7-8-25-18)31-15-5-6-17-20(12-15)32-23(27-17)26-13-14-3-2-4-19-21(14)30-10-9-29-19/h2-8,11-12H,9-10,13H2,1H3,(H,24,28)(H,26,27)
InChIKeyHMOXUXNPMIXJJR-UHFFFAOYSA-N
MW432.44 g/mol
LogP3.76
Rot. Bonds6

About 4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide

4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide (PubChem CID 24822064) has the molecular formula C23H20N4O5 and a molecular weight of 432.44 g/mol. Its IUPAC name is 4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
PubChem CID24822064
Molecular FormulaC23H20N4O5
Molecular Weight432.44 g/mol
Exact Mass432.14
IUPAC Name4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(NCc4cccc5c4OCCO5)oc3c2)ccn1
InChIInChI=1S/C23H20N4O5/c1-24-22(28)18-11-16(7-8-25-18)31-15-5-6-17-20(12-15)32-23(27-17)26-13-14-3-2-4-19-21(14)30-10-9-29-19/h2-8,11-12H,9-10,13H2,1H3,(H,24,28)(H,26,27)
InChIKeyHMOXUXNPMIXJJR-UHFFFAOYSA-N
XLogP3.76
TPSA107.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 24821306
4-[[2-(benzylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;methanol
CID 143564411
4-[[2-[(2,5-difluorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 24821728
4-[2-[2,3-dihydro-1,4-benzodioxin-5-yl(methyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 42642190
N-methyl-4-[[2-(oxan-4-ylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxamide
CID 24821671
4-[[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 24821933
1-[[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]methyl]cyclohexane-1-carboxylic acid;N-methyl-4-[[2-[[1-(methylcarbamoyl)cyclohexyl]methylamino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxamide
CID 159225657
4-[[2-[(2,6-dimethoxyphenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid
CID 142780795
N-methyl-4-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxamide
CID 24821608
[[4-[[2-(cyclohexylmethylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carbonyl]amino]carbamic acid
CID 141187566
4-[[2-(3-tert-butylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 54584640
4-[[2-[(4-chlorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid
CID 141187575

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide (CID 24822064) is 4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3nc(NCc4cccc5c4OCCO5)oc3c2)ccn1.
What is the InChIKey of 4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide?
The InChIKey is HMOXUXNPMIXJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O5/c1-24-22(28)18-11-16(7-8-25-18)31-15-5-6-17-20(12-15)32-23(27-17)26-13-14-3-2-4-19-21(14)30-10-9-29-19/h2-8,11-12H,9-10,13H2,1H3,(H,24,28)(H,26,27).
What are the key properties of 4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide?
4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide has a molecular weight of 432.44 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 24822064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).