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

C22H20N4O3 — CID 22040796

IUPAC4-[[2-(2-ethylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCCc1ccccc1Nc1nc2cc(Oc3ccnc(C(=O)NC)c3)ccc2o1
InChIInChI=1S/C22H20N4O3/c1-3-14-6-4-5-7-17(14)25-22-26-18-12-15(8-9-20(18)29-22)28-16-10-11-24-19(13-16)21(27)23-2/h4-13H,3H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyABLGFYHLIBGFKD-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.68
Rot. Bonds6

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

4-[[2-(2-ethylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide (PubChem CID 22040796) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 4-[[2-(2-ethylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(2-ethylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
PubChem CID22040796
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name4-[[2-(2-ethylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCCc1ccccc1Nc1nc2cc(Oc3ccnc(C(=O)NC)c3)ccc2o1
InChIInChI=1S/C22H20N4O3/c1-3-14-6-4-5-7-17(14)25-22-26-18-12-15(8-9-20(18)29-22)28-16-10-11-24-19(13-16)21(27)23-2/h4-13H,3H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyABLGFYHLIBGFKD-UHFFFAOYSA-N
XLogP4.68
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-ethylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[2-(2-ethylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide (CID 22040796) is 4-[[2-(2-ethylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(2-ethylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(2-ethylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide is CCc1ccccc1Nc1nc2cc(Oc3ccnc(C(=O)NC)c3)ccc2o1.
What is the InChIKey of 4-[[2-(2-ethylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
The InChIKey is ABLGFYHLIBGFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-3-14-6-4-5-7-17(14)25-22-26-18-12-15(8-9-20(18)29-22)28-16-10-11-24-19(13-16)21(27)23-2/h4-13H,3H2,1-2H3,(H,23,27)(H,25,26).
What are the key properties of 4-[[2-(2-ethylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
4-[[2-(2-ethylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-ethylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 22040796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).