N-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C16H14N2O5 — CID 15998745

IUPACN-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccco3)on2)cc1OC
InChIInChI=1S/C16H14N2O5/c1-20-12-6-5-10(8-14(12)21-2)17-16(19)11-9-15(23-18-11)13-4-3-7-22-13/h3-9H,1-2H3,(H,17,19)
InChIKeyGZXYZYKWNHSXBN-UHFFFAOYSA-N
MW314.30 g/mol
LogP3.20
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 15998745) has the molecular formula C16H14N2O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID15998745
Molecular FormulaC16H14N2O5
Molecular Weight314.30 g/mol
Exact Mass314.09
IUPAC NameN-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccco3)on2)cc1OC
InChIInChI=1S/C16H14N2O5/c1-20-12-6-5-10(8-14(12)21-2)17-16(19)11-9-15(23-18-11)13-4-3-7-22-13/h3-9H,1-2H3,(H,17,19)
InChIKeyGZXYZYKWNHSXBN-UHFFFAOYSA-N
XLogP3.20
TPSA86.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 15998745) is N-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is COc1ccc(NC(=O)c2cc(-c3ccco3)on2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is GZXYZYKWNHSXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5/c1-20-12-6-5-10(8-14(12)21-2)17-16(19)11-9-15(23-18-11)13-4-3-7-22-13/h3-9H,1-2H3,(H,17,19).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 314.30 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 15998745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).