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

C18H14N2O4S — CID 71804087

IUPAC5-(furan-2-yl)-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(c1cc(-c2ccco2)on1)N(Cc1ccoc1)Cc1cccs1
InChIInChI=1S/C18H14N2O4S/c21-18(15-9-17(24-19-15)16-4-1-6-23-16)20(10-13-5-7-22-12-13)11-14-3-2-8-25-14/h1-9,12H,10-11H2
InChIKeyJYTUEZIFQASGBF-UHFFFAOYSA-N
MW354.39 g/mol
LogP4.43
Rot. Bonds6

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

5-(furan-2-yl)-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 71804087) has the molecular formula C18H14N2O4S and a molecular weight of 354.39 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID71804087
Molecular FormulaC18H14N2O4S
Molecular Weight354.39 g/mol
Exact Mass354.07
IUPAC Name5-(furan-2-yl)-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(c1cc(-c2ccco2)on1)N(Cc1ccoc1)Cc1cccs1
InChIInChI=1S/C18H14N2O4S/c21-18(15-9-17(24-19-15)16-4-1-6-23-16)20(10-13-5-7-22-12-13)11-14-3-2-8-25-14/h1-9,12H,10-11H2
InChIKeyJYTUEZIFQASGBF-UHFFFAOYSA-N
XLogP4.43
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide (CID 71804087) is 5-(furan-2-yl)-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(c1cc(-c2ccco2)on1)N(Cc1ccoc1)Cc1cccs1.
What is the InChIKey of 5-(furan-2-yl)-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is JYTUEZIFQASGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4S/c21-18(15-9-17(24-19-15)16-4-1-6-23-16)20(10-13-5-7-22-12-13)11-14-3-2-8-25-14/h1-9,12H,10-11H2.
What are the key properties of 5-(furan-2-yl)-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
5-(furan-2-yl)-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 354.39 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71804087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).