5-(7-bromo-5-hydroxy-1,3-benzoxazol-2-yl)-1H-pyridin-2-one

C12H7BrN2O3 — CID 137126355

IUPAC5-(7-bromo-5-hydroxy-1,3-benzoxazol-2-yl)-1H-pyridin-2-one
SMILESO=c1ccc(-c2nc3cc(O)cc(Br)c3o2)c[nH]1
InChIInChI=1S/C12H7BrN2O3/c13-8-3-7(16)4-9-11(8)18-12(15-9)6-1-2-10(17)14-5-6/h1-5,16H,(H,14,17)
InChIKeyIWOOWKVQGPTUAM-UHFFFAOYSA-N
MW307.10 g/mol
LogP2.65
Rot. Bonds1

About 5-(7-bromo-5-hydroxy-1,3-benzoxazol-2-yl)-1H-pyridin-2-one

5-(7-bromo-5-hydroxy-1,3-benzoxazol-2-yl)-1H-pyridin-2-one (PubChem CID 137126355) has the molecular formula C12H7BrN2O3 and a molecular weight of 307.10 g/mol. Its IUPAC name is 5-(7-bromo-5-hydroxy-1,3-benzoxazol-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(7-bromo-5-hydroxy-1,3-benzoxazol-2-yl)-1H-pyridin-2-one
PubChem CID137126355
Molecular FormulaC12H7BrN2O3
Molecular Weight307.10 g/mol
Exact Mass305.96
IUPAC Name5-(7-bromo-5-hydroxy-1,3-benzoxazol-2-yl)-1H-pyridin-2-one
SMILESO=c1ccc(-c2nc3cc(O)cc(Br)c3o2)c[nH]1
InChIInChI=1S/C12H7BrN2O3/c13-8-3-7(16)4-9-11(8)18-12(15-9)6-1-2-10(17)14-5-6/h1-5,16H,(H,14,17)
InChIKeyIWOOWKVQGPTUAM-UHFFFAOYSA-N
XLogP2.65
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.10
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
CID 135409255
5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carbaldehyde
CID 135522279
5-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one
CID 136710786
7-bromo-5-fluoro-2-(4-methylphenyl)-1,3-benzoxazole
CID 82095604
7-bromo-2-(3,4-dichlorophenyl)-5-methyl-1,3-benzoxazole
CID 51983759
4-(7-bromo-5-methoxy-1,3-benzoxazol-2-yl)aniline
CID 50849277
7-bromo-2-(3-chloro-4-methylphenyl)-5-methyl-1,3-benzoxazole
CID 51983755
N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 17162933
6-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
CID 135830954
4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenol
CID 136658117
7-bromo-2-(4-bromo-3-chlorophenyl)-5-ethyl-1,3-benzoxazole
CID 94675137
2-(4-hydroxyphenyl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-ol
CID 135445374

Frequently Asked Questions

What is the IUPAC name of 5-(7-bromo-5-hydroxy-1,3-benzoxazol-2-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(7-bromo-5-hydroxy-1,3-benzoxazol-2-yl)-1H-pyridin-2-one (CID 137126355) is 5-(7-bromo-5-hydroxy-1,3-benzoxazol-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(7-bromo-5-hydroxy-1,3-benzoxazol-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(7-bromo-5-hydroxy-1,3-benzoxazol-2-yl)-1H-pyridin-2-one is O=c1ccc(-c2nc3cc(O)cc(Br)c3o2)c[nH]1.
What is the InChIKey of 5-(7-bromo-5-hydroxy-1,3-benzoxazol-2-yl)-1H-pyridin-2-one?
The InChIKey is IWOOWKVQGPTUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2O3/c13-8-3-7(16)4-9-11(8)18-12(15-9)6-1-2-10(17)14-5-6/h1-5,16H,(H,14,17).
What are the key properties of 5-(7-bromo-5-hydroxy-1,3-benzoxazol-2-yl)-1H-pyridin-2-one?
5-(7-bromo-5-hydroxy-1,3-benzoxazol-2-yl)-1H-pyridin-2-one has a molecular weight of 307.10 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-bromo-5-hydroxy-1,3-benzoxazol-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 137126355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).