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

C17H10BrN3O4 — CID 135655007

IUPAC5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1ccc(Br)o1
InChIInChI=1S/C17H10BrN3O4/c18-15-4-3-14(24-15)16(23)20-9-1-2-12(22)10(7-9)17-21-11-8-19-6-5-13(11)25-17/h1-8,22H,(H,20,23)
InChIKeyHAUXSKRILPHWTO-UHFFFAOYSA-N
MW400.19 g/mol
LogP4.20
Rot. Bonds3

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

5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide (PubChem CID 135655007) has the molecular formula C17H10BrN3O4 and a molecular weight of 400.19 g/mol. Its IUPAC name is 5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide
PubChem CID135655007
Molecular FormulaC17H10BrN3O4
Molecular Weight400.19 g/mol
Exact Mass398.99
IUPAC Name5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1ccc(Br)o1
InChIInChI=1S/C17H10BrN3O4/c18-15-4-3-14(24-15)16(23)20-9-1-2-12(22)10(7-9)17-21-11-8-19-6-5-13(11)25-17/h1-8,22H,(H,20,23)
InChIKeyHAUXSKRILPHWTO-UHFFFAOYSA-N
XLogP4.20
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.19
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 29127725
5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]naphthalene-1-carboxamide
CID 135654563
N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 135654760
N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide
CID 135658749
3-chloro-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-methoxybenzamide
CID 135655445
5-bromo-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
CID 1142575
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide
CID 135700297
5-bromo-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 1361589
2-(4-chlorophenoxy)-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide
CID 135654510
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-4-bromobenzamide
CID 2263361
2-(4-chlorophenyl)-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide
CID 135655820
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide
CID 1389021

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide (CID 135655007) is 5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide?
The InChIKey is HAUXSKRILPHWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrN3O4/c18-15-4-3-14(24-15)16(23)20-9-1-2-12(22)10(7-9)17-21-11-8-19-6-5-13(11)25-17/h1-8,22H,(H,20,23).
What are the key properties of 5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide?
5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide has a molecular weight of 400.19 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 135655007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).