[4-[(3-phenyl-1,2-oxazol-4-yl)carbamoyl]phenyl]boronic acid

C16H13BN2O4 — CID 154871879

IUPAC[4-[(3-phenyl-1,2-oxazol-4-yl)carbamoyl]phenyl]boronic acid
SMILESO=C(Nc1conc1-c1ccccc1)c1ccc(B(O)O)cc1
InChIInChI=1S/C16H13BN2O4/c20-16(12-6-8-13(9-7-12)17(21)22)18-14-10-23-19-15(14)11-4-2-1-3-5-11/h1-10,21-22H,(H,18,20)
InChIKeyXNWRXXQXWSXKJU-UHFFFAOYSA-N
MW308.10 g/mol
LogP1.27
Rot. Bonds4

About [4-[(3-phenyl-1,2-oxazol-4-yl)carbamoyl]phenyl]boronic acid

[4-[(3-phenyl-1,2-oxazol-4-yl)carbamoyl]phenyl]boronic acid (PubChem CID 154871879) has the molecular formula C16H13BN2O4 and a molecular weight of 308.10 g/mol. Its IUPAC name is [4-[(3-phenyl-1,2-oxazol-4-yl)carbamoyl]phenyl]boronic acid.

Molecular Properties

Compound Name[4-[(3-phenyl-1,2-oxazol-4-yl)carbamoyl]phenyl]boronic acid
PubChem CID154871879
Molecular FormulaC16H13BN2O4
Molecular Weight308.10 g/mol
Exact Mass308.10
IUPAC Name[4-[(3-phenyl-1,2-oxazol-4-yl)carbamoyl]phenyl]boronic acid
SMILESO=C(Nc1conc1-c1ccccc1)c1ccc(B(O)O)cc1
InChIInChI=1S/C16H13BN2O4/c20-16(12-6-8-13(9-7-12)17(21)22)18-14-10-23-19-15(14)11-4-2-1-3-5-11/h1-10,21-22H,(H,18,20)
InChIKeyXNWRXXQXWSXKJU-UHFFFAOYSA-N
XLogP1.27
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.10
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-4-(3-phenyl-1,2-oxazol-4-yl)benzamide
CID 58833396
[4-[[2-(trifluoromethyl)phenyl]carbamoyl]phenyl]boronic acid
CID 44717648
N-(5-chloro-2-methylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 100771839
ethane;[4-(methylcarbamoyl)phenyl]boronic acid
CID 145286024
[4-[[(7-benzamidothieno[3,2-d]pyrimidin-4-yl)amino]methyl]phenyl]boronic acid
CID 165130569
N-(1-tert-butyl-3-phenylpyrazol-4-yl)-4-methylbenzamide
CID 22138421
N-(4-ethylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 100771775
N-(4-benzamido-2,5-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 4035608
3-phenyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide
CID 100771698
N-(5,6-diphenyl-1,2,4-triazin-3-yl)benzamide
CID 23910989
N-(2-acetylphenyl)-4-phenylbenzamide
CID 4799727
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 100771568

Frequently Asked Questions

What is the IUPAC name of [4-[(3-phenyl-1,2-oxazol-4-yl)carbamoyl]phenyl]boronic acid?
The IUPAC name of [4-[(3-phenyl-1,2-oxazol-4-yl)carbamoyl]phenyl]boronic acid (CID 154871879) is [4-[(3-phenyl-1,2-oxazol-4-yl)carbamoyl]phenyl]boronic acid.
What is the SMILES notation for [4-[(3-phenyl-1,2-oxazol-4-yl)carbamoyl]phenyl]boronic acid?
The canonical SMILES for [4-[(3-phenyl-1,2-oxazol-4-yl)carbamoyl]phenyl]boronic acid is O=C(Nc1conc1-c1ccccc1)c1ccc(B(O)O)cc1.
What is the InChIKey of [4-[(3-phenyl-1,2-oxazol-4-yl)carbamoyl]phenyl]boronic acid?
The InChIKey is XNWRXXQXWSXKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BN2O4/c20-16(12-6-8-13(9-7-12)17(21)22)18-14-10-23-19-15(14)11-4-2-1-3-5-11/h1-10,21-22H,(H,18,20).
What are the key properties of [4-[(3-phenyl-1,2-oxazol-4-yl)carbamoyl]phenyl]boronic acid?
[4-[(3-phenyl-1,2-oxazol-4-yl)carbamoyl]phenyl]boronic acid has a molecular weight of 308.10 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-phenyl-1,2-oxazol-4-yl)carbamoyl]phenyl]boronic acid is sourced from PubChem (CID 154871879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).