N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide

C21H13N3O4 — CID 135654760

IUPACN-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3cnccc3o2)c(O)c1)c1cc2ccccc2o1
InChIInChI=1S/C21H13N3O4/c25-16-10-13(23-20(26)19-9-12-3-1-2-4-17(12)27-19)5-6-14(16)21-24-15-11-22-8-7-18(15)28-21/h1-11,25H,(H,23,26)
InChIKeyWLBDGYLAZBWMML-UHFFFAOYSA-N
MW371.35 g/mol
LogP4.59
Rot. Bonds3

About N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide

N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 135654760) has the molecular formula C21H13N3O4 and a molecular weight of 371.35 g/mol. Its IUPAC name is N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID135654760
Molecular FormulaC21H13N3O4
Molecular Weight371.35 g/mol
Exact Mass371.09
IUPAC NameN-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3cnccc3o2)c(O)c1)c1cc2ccccc2o1
InChIInChI=1S/C21H13N3O4/c25-16-10-13(23-20(26)19-9-12-3-1-2-4-17(12)27-19)5-6-14(16)21-24-15-11-22-8-7-18(15)28-21/h1-11,25H,(H,23,26)
InChIKeyWLBDGYLAZBWMML-UHFFFAOYSA-N
XLogP4.59
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-1-benzofuran-2-carboxamide
CID 135579943
N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide
CID 135658749
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]pyridine-3-carboxamide
CID 4088215
2,2,2-trifluoro-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide
CID 135658569
5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 135655007
2-(4-chlorophenyl)-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide
CID 135655820
N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 135718019
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide
CID 1256505
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-methylbenzamide
CID 739837
N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 3124109
N-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 39311457
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-1H-1,2,4-triazole-5-carboxamide
CID 709599

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide (CID 135654760) is N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide is O=C(Nc1ccc(-c2nc3cnccc3o2)c(O)c1)c1cc2ccccc2o1.
What is the InChIKey of N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is WLBDGYLAZBWMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3O4/c25-16-10-13(23-20(26)19-9-12-3-1-2-4-17(12)27-19)5-6-14(16)21-24-15-11-22-8-7-18(15)28-21/h1-11,25H,(H,23,26).
What are the key properties of N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide?
N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 371.35 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 135654760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).