N-[4-(1,3-benzoxazol-2-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide

C26H19N3O4 — CID 127024274

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C26H19N3O4/c30-20-11-12-21(23(31)14-20)26(32)29(16-17-4-3-13-27-15-17)19-9-7-18(8-10-19)25-28-22-5-1-2-6-24(22)33-25/h1-15,30-31H,16H2
InChIKeyLEEJMBYAQJQTKH-UHFFFAOYSA-N
MW437.46 g/mol
LogP5.15
Rot. Bonds5

About N-[4-(1,3-benzoxazol-2-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide

N-[4-(1,3-benzoxazol-2-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 127024274) has the molecular formula C26H19N3O4 and a molecular weight of 437.46 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide
PubChem CID127024274
Molecular FormulaC26H19N3O4
Molecular Weight437.46 g/mol
Exact Mass437.14
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C26H19N3O4/c30-20-11-12-21(23(31)14-20)26(32)29(16-17-4-3-13-27-15-17)19-9-7-18(8-10-19)25-28-22-5-1-2-6-24(22)33-25/h1-15,30-31H,16H2
InChIKeyLEEJMBYAQJQTKH-UHFFFAOYSA-N
XLogP5.15
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.46
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide (CID 127024274) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide is O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2nc3ccccc3o2)cc1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is LEEJMBYAQJQTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O4/c30-20-11-12-21(23(31)14-20)26(32)29(16-17-4-3-13-27-15-17)19-9-7-18(8-10-19)25-28-22-5-1-2-6-24(22)33-25/h1-15,30-31H,16H2.
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 437.46 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 127024274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).