4-[[2-[(2,5-difluorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide

C21H16F2N4O3 — CID 24821728

IUPAC4-[[2-[(2,5-difluorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(NCc4cc(F)ccc4F)oc3c2)ccn1
InChIInChI=1S/C21H16F2N4O3/c1-24-20(28)18-9-15(6-7-25-18)29-14-3-5-17-19(10-14)30-21(27-17)26-11-12-8-13(22)2-4-16(12)23/h2-10H,11H2,1H3,(H,24,28)(H,26,27)
InChIKeyMCOIXYYWCCFMCY-UHFFFAOYSA-N
MW410.38 g/mol
LogP4.26
Rot. Bonds6

About 4-[[2-[(2,5-difluorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide

4-[[2-[(2,5-difluorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide (PubChem CID 24821728) has the molecular formula C21H16F2N4O3 and a molecular weight of 410.38 g/mol. Its IUPAC name is 4-[[2-[(2,5-difluorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-[(2,5-difluorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
PubChem CID24821728
Molecular FormulaC21H16F2N4O3
Molecular Weight410.38 g/mol
Exact Mass410.12
IUPAC Name4-[[2-[(2,5-difluorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(NCc4cc(F)ccc4F)oc3c2)ccn1
InChIInChI=1S/C21H16F2N4O3/c1-24-20(28)18-9-15(6-7-25-18)29-14-3-5-17-19(10-14)30-21(27-17)26-11-12-8-13(22)2-4-16(12)23/h2-10H,11H2,1H3,(H,24,28)(H,26,27)
InChIKeyMCOIXYYWCCFMCY-UHFFFAOYSA-N
XLogP4.26
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[[2-(benzylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;methanol
CID 143564411
4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 24822064
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
4-[[2-[(4-chlorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid
CID 141187575
4-[[2-[(2,6-dimethoxyphenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid
CID 142780795
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-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 24821306
N-methyl-4-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxamide
CID 24821608
4-[[2-[(3,4-dimethoxyphenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid
CID 142780772
[[4-[[2-(cyclohexylmethylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carbonyl]amino]carbamic acid
CID 141187566
4-[4-[(2,5-difluorophenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 131953293

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2,5-difluorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[2-[(2,5-difluorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide (CID 24821728) is 4-[[2-[(2,5-difluorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-[(2,5-difluorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[2-[(2,5-difluorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3nc(NCc4cc(F)ccc4F)oc3c2)ccn1.
What is the InChIKey of 4-[[2-[(2,5-difluorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide?
The InChIKey is MCOIXYYWCCFMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O3/c1-24-20(28)18-9-15(6-7-25-18)29-14-3-5-17-19(10-14)30-21(27-17)26-11-12-8-13(22)2-4-16(12)23/h2-10H,11H2,1H3,(H,24,28)(H,26,27).
What are the key properties of 4-[[2-[(2,5-difluorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide?
4-[[2-[(2,5-difluorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide has a molecular weight of 410.38 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2,5-difluorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 24821728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).