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

C16H12N2O4 — CID 17253055

IUPACN-(3-acetylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(-c3ccco3)on2)c1
InChIInChI=1S/C16H12N2O4/c1-10(19)11-4-2-5-12(8-11)17-16(20)13-9-15(22-18-13)14-6-3-7-21-14/h2-9H,1H3,(H,17,20)
InChIKeyTYEJLQUSJLTVLU-UHFFFAOYSA-N
MW296.28 g/mol
LogP3.39
Rot. Bonds4

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

N-(3-acetylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 17253055) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID17253055
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC NameN-(3-acetylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(-c3ccco3)on2)c1
InChIInChI=1S/C16H12N2O4/c1-10(19)11-4-2-5-12(8-11)17-16(20)13-9-15(22-18-13)14-6-3-7-21-14/h2-9H,1H3,(H,17,20)
InChIKeyTYEJLQUSJLTVLU-UHFFFAOYSA-N
XLogP3.39
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 17253055) is N-(3-acetylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is CC(=O)c1cccc(NC(=O)c2cc(-c3ccco3)on2)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is TYEJLQUSJLTVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c1-10(19)11-4-2-5-12(8-11)17-16(20)13-9-15(22-18-13)14-6-3-7-21-14/h2-9H,1H3,(H,17,20).
What are the key properties of N-(3-acetylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-(3-acetylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 296.28 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17253055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).