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

C23H14BrN3O3 — CID 135654563

IUPAC5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1cccc2c(Br)cccc12
InChIInChI=1S/C23H14BrN3O3/c24-18-6-2-3-14-15(18)4-1-5-16(14)22(29)26-13-7-8-20(28)17(11-13)23-27-19-12-25-10-9-21(19)30-23/h1-12,28H,(H,26,29)
InChIKeyXBSNAEVWEUJDSC-UHFFFAOYSA-N
MW460.29 g/mol
LogP5.76
Rot. Bonds3

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

5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]naphthalene-1-carboxamide (PubChem CID 135654563) has the molecular formula C23H14BrN3O3 and a molecular weight of 460.29 g/mol. Its IUPAC name is 5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]naphthalene-1-carboxamide
PubChem CID135654563
Molecular FormulaC23H14BrN3O3
Molecular Weight460.29 g/mol
Exact Mass459.02
IUPAC Name5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1cccc2c(Br)cccc12
InChIInChI=1S/C23H14BrN3O3/c24-18-6-2-3-14-15(18)4-1-5-16(14)22(29)26-13-7-8-20(28)17(11-13)23-27-19-12-25-10-9-21(19)30-23/h1-12,28H,(H,26,29)
InChIKeyXBSNAEVWEUJDSC-UHFFFAOYSA-N
XLogP5.76
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.29
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 135655007
5-bromo-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]naphthalene-1-carboxamide
CID 17163354
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
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-4-bromobenzamide
CID 2263361
N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 135654760
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide
CID 1389021
N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)naphthalene-1-carboxamide
CID 3117204
2-(4-chlorophenoxy)-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide
CID 135654510
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide
CID 135700297
2-bromo-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide
CID 39347163
2,2,2-trifluoro-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide
CID 135658569

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]naphthalene-1-carboxamide?
The IUPAC name of 5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]naphthalene-1-carboxamide (CID 135654563) is 5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for 5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]naphthalene-1-carboxamide is O=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1cccc2c(Br)cccc12.
What is the InChIKey of 5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]naphthalene-1-carboxamide?
The InChIKey is XBSNAEVWEUJDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14BrN3O3/c24-18-6-2-3-14-15(18)4-1-5-16(14)22(29)26-13-7-8-20(28)17(11-13)23-27-19-12-25-10-9-21(19)30-23/h1-12,28H,(H,26,29).
What are the key properties of 5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]naphthalene-1-carboxamide?
5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]naphthalene-1-carboxamide has a molecular weight of 460.29 g/mol, XLogP of 5.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 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]naphthalene-1-carboxamide is sourced from PubChem (CID 135654563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).