N-(5-bromo-2-hydroxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C14H9BrN2O4 — CID 15995144

IUPACN-(5-bromo-2-hydroxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cc(Br)ccc1O)c1cc(-c2ccco2)on1
InChIInChI=1S/C14H9BrN2O4/c15-8-3-4-11(18)9(6-8)16-14(19)10-7-13(21-17-10)12-2-1-5-20-12/h1-7,18H,(H,16,19)
InChIKeyBEBXUNYPNDDYIX-UHFFFAOYSA-N
MW349.14 g/mol
LogP3.65
Rot. Bonds3

About N-(5-bromo-2-hydroxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-(5-bromo-2-hydroxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 15995144) has the molecular formula C14H9BrN2O4 and a molecular weight of 349.14 g/mol. Its IUPAC name is N-(5-bromo-2-hydroxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-hydroxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID15995144
Molecular FormulaC14H9BrN2O4
Molecular Weight349.14 g/mol
Exact Mass347.97
IUPAC NameN-(5-bromo-2-hydroxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cc(Br)ccc1O)c1cc(-c2ccco2)on1
InChIInChI=1S/C14H9BrN2O4/c15-8-3-4-11(18)9(6-8)16-14(19)10-7-13(21-17-10)12-2-1-5-20-12/h1-7,18H,(H,16,19)
InChIKeyBEBXUNYPNDDYIX-UHFFFAOYSA-N
XLogP3.65
TPSA88.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.14
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(furan-2-yl)-N-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 24739268
5-(furan-2-yl)-N-(3-iodophenyl)-1,2-oxazole-3-carboxamide
CID 24663749
5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride
CID 2795555
N-[1-(4-bromophenyl)cyclopropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 75493636
N-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 24663728
N-(2-bromo-4,6-difluorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 3245278
N-(5-bromo-2-methylphenyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 52655029
N-[1-(3-bromophenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 55599574
5-(furan-2-yl)-N-[4-(sulfamoylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 24669152
N-(3,4-dimethylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 3244522
5-(furan-2-yl)-N-(1H-indazol-7-yl)-1,2-oxazole-3-carboxamide
CID 24669403
5-(furan-2-yl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 15995731

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-hydroxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-bromo-2-hydroxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 15995144) is N-(5-bromo-2-hydroxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-hydroxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-hydroxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is O=C(Nc1cc(Br)ccc1O)c1cc(-c2ccco2)on1.
What is the InChIKey of N-(5-bromo-2-hydroxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is BEBXUNYPNDDYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O4/c15-8-3-4-11(18)9(6-8)16-14(19)10-7-13(21-17-10)12-2-1-5-20-12/h1-7,18H,(H,16,19).
What are the key properties of N-(5-bromo-2-hydroxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-(5-bromo-2-hydroxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 349.14 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-hydroxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 15995144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).