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

C14H9IN2O3 — CID 24663749

IUPAC5-(furan-2-yl)-N-(3-iodophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(I)c1)c1cc(-c2ccco2)on1
InChIInChI=1S/C14H9IN2O3/c15-9-3-1-4-10(7-9)16-14(18)11-8-13(20-17-11)12-5-2-6-19-12/h1-8H,(H,16,18)
InChIKeyXVFHGWYZBDLAGY-UHFFFAOYSA-N
MW380.14 g/mol
LogP3.79
Rot. Bonds3

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

5-(furan-2-yl)-N-(3-iodophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 24663749) has the molecular formula C14H9IN2O3 and a molecular weight of 380.14 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-(3-iodophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-(3-iodophenyl)-1,2-oxazole-3-carboxamide
PubChem CID24663749
Molecular FormulaC14H9IN2O3
Molecular Weight380.14 g/mol
Exact Mass379.97
IUPAC Name5-(furan-2-yl)-N-(3-iodophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(I)c1)c1cc(-c2ccco2)on1
InChIInChI=1S/C14H9IN2O3/c15-9-3-1-4-10(7-9)16-14(18)11-8-13(20-17-11)12-5-2-6-19-12/h1-8H,(H,16,18)
InChIKeyXVFHGWYZBDLAGY-UHFFFAOYSA-N
XLogP3.79
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.14
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 3244522
5-(furan-2-yl)-N-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 24739268
5-(furan-2-yl)-N-(3-morpholin-4-ylphenyl)-1,2-oxazole-3-carboxamide
CID 110618704
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 71884102
5-(furan-2-yl)-N-(2-methoxypyrimidin-5-yl)-1,2-oxazole-3-carboxamide
CID 122301502
5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride
CID 2795555
N-(5-bromo-2-hydroxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 15995144
5-(furan-2-yl)-N-[4-(sulfamoylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 24669152
5-(furan-2-yl)-N-(1H-indazol-7-yl)-1,2-oxazole-3-carboxamide
CID 24669403
5-(furan-2-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 24666517
N-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 24663728
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 47138249

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-(3-iodophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-(3-iodophenyl)-1,2-oxazole-3-carboxamide (CID 24663749) is 5-(furan-2-yl)-N-(3-iodophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-(3-iodophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-(3-iodophenyl)-1,2-oxazole-3-carboxamide is O=C(Nc1cccc(I)c1)c1cc(-c2ccco2)on1.
What is the InChIKey of 5-(furan-2-yl)-N-(3-iodophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is XVFHGWYZBDLAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9IN2O3/c15-9-3-1-4-10(7-9)16-14(18)11-8-13(20-17-11)12-5-2-6-19-12/h1-8H,(H,16,18).
What are the key properties of 5-(furan-2-yl)-N-(3-iodophenyl)-1,2-oxazole-3-carboxamide?
5-(furan-2-yl)-N-(3-iodophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 380.14 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-(3-iodophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24663749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).