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

C20H15FN4O3 — CID 22041020

IUPAC4-[[2-(2-fluoroanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3oc(Nc4ccccc4F)nc3c2)ccn1
InChIInChI=1S/C20H15FN4O3/c1-22-19(26)17-11-13(8-9-23-17)27-12-6-7-18-16(10-12)25-20(28-18)24-15-5-3-2-4-14(15)21/h2-11H,1H3,(H,22,26)(H,24,25)
InChIKeyNHCJCHFTBCCHIX-UHFFFAOYSA-N
MW378.36 g/mol
LogP4.26
Rot. Bonds5

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

4-[[2-(2-fluoroanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide (PubChem CID 22041020) has the molecular formula C20H15FN4O3 and a molecular weight of 378.36 g/mol. Its IUPAC name is 4-[[2-(2-fluoroanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(2-fluoroanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
PubChem CID22041020
Molecular FormulaC20H15FN4O3
Molecular Weight378.36 g/mol
Exact Mass378.11
IUPAC Name4-[[2-(2-fluoroanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3oc(Nc4ccccc4F)nc3c2)ccn1
InChIInChI=1S/C20H15FN4O3/c1-22-19(26)17-11-13(8-9-23-17)27-12-6-7-18-16(10-12)25-20(28-18)24-15-5-3-2-4-14(15)21/h2-11H,1H3,(H,22,26)(H,24,25)
InChIKeyNHCJCHFTBCCHIX-UHFFFAOYSA-N
XLogP4.26
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-{[2-({4-chloro-3-[2-(dimethylamino)ethoxy]phenyl}amino)-1,3-benzoxazol-5-yl]oxy}-N-methylpyridine-2-carboxamide
CID 11248659
4-({2-[(4-chloro-3-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}phenyl)amino]-7-fluoro-1,3-benzoxazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 11283899
4-[(2-{[4-chloro-3-(piperidin-4-ylmethoxy)phenyl]amino}-1,3-benzoxazol-5-yl)oxy]-N-methylpyridine-2-carboxamide
CID 11341153
4-{[2-({4-chloro-3-[2-(diethylamino)ethoxy]phenyl}amino)-1,3-benzoxazol-5-yl]oxy}-N-methylpyridine-2-carboxamide
CID 11352732
4-{2-[4-chloro-3-((2S)-1-methyl-pyrrolidin-2-ylmethoxy)-phenylamino]-benzooxazol-5-yloxy}-pyridine-2-carboxylic acid amide
CID 11454711
4-({2-[(4-chloro-3-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}phenyl)amino]-1,3-benzoxazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 11620410
4-{[2-({4-chloro-3-[(4-methylpiperazin-1-yl)methyl]phenyl}amino)-1,3-benzoxazol-5-yl]oxy}-N-methylpyridine-2-carboxamide
CID 11752517
4-({2-[(4-Chlorophenyl)amino]-1,3-benzoxazol-5-yl}oxy)-n-methylpyridine-2-carboxamide
CID 17755310
4-[(2-{[4-chloro-3-(morpholin-4-ylmethyl)phenyl]amino}-1,3-benzoxazol-5-yl)oxy]-N-methylpyridine-2-carboxamide
CID 17755311
N-methyl-4-({2-[methyl(phenyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)pyridine-2-carboxamide
CID 22040802
4-(2-(4-isopropylphenylamino)benzo[d]oxazol-5-yloxy)-N-methylpicolinamide
CID 22040407
4-(2-(4-ethylphenylamino)benzo[d]oxazol-5-yloxy)-N-methylpicolinamide
CID 22040436

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-fluoroanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[2-(2-fluoroanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide (CID 22041020) is 4-[[2-(2-fluoroanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(2-fluoroanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(2-fluoroanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3oc(Nc4ccccc4F)nc3c2)ccn1.
What is the InChIKey of 4-[[2-(2-fluoroanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
The InChIKey is NHCJCHFTBCCHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3/c1-22-19(26)17-11-13(8-9-23-17)27-12-6-7-18-16(10-12)25-20(28-18)24-15-5-3-2-4-14(15)21/h2-11H,1H3,(H,22,26)(H,24,25).
What are the key properties of 4-[[2-(2-fluoroanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
4-[[2-(2-fluoroanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide has a molecular weight of 378.36 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-fluoroanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 22041020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).