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

C20H15ClN4O3 — CID 22040722

IUPAC4-[[2-(2-chloroanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3oc(Nc4ccccc4Cl)nc3c2)ccn1
InChIInChI=1S/C20H15ClN4O3/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)
InChIKeyNOGSYGYUFQNRTN-UHFFFAOYSA-N
MW394.82 g/mol
LogP4.77
Rot. Bonds5

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

4-[[2-(2-chloroanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide (PubChem CID 22040722) has the molecular formula C20H15ClN4O3 and a molecular weight of 394.82 g/mol. Its IUPAC name is 4-[[2-(2-chloroanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(2-chloroanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
PubChem CID22040722
Molecular FormulaC20H15ClN4O3
Molecular Weight394.82 g/mol
Exact Mass394.08
IUPAC Name4-[[2-(2-chloroanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3oc(Nc4ccccc4Cl)nc3c2)ccn1
InChIInChI=1S/C20H15ClN4O3/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)
InChIKeyNOGSYGYUFQNRTN-UHFFFAOYSA-N
XLogP4.77
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.82
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-chloroanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[2-(2-chloroanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide (CID 22040722) is 4-[[2-(2-chloroanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(2-chloroanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(2-chloroanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3oc(Nc4ccccc4Cl)nc3c2)ccn1.
What is the InChIKey of 4-[[2-(2-chloroanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
The InChIKey is NOGSYGYUFQNRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O3/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-chloroanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
4-[[2-(2-chloroanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide has a molecular weight of 394.82 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-chloroanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 22040722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).