3-acetyl-N-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-2H-1,3,4-oxadiazole-2-carboxamide

C15H15N3O4S — CID 118738405

IUPAC3-acetyl-N-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-2H-1,3,4-oxadiazole-2-carboxamide
SMILESCC(=O)N1N=C(c2cccs2)OC1C(=O)NCc1ccc(C)o1
InChIInChI=1S/C15H15N3O4S/c1-9-5-6-11(21-9)8-16-13(20)15-18(10(2)19)17-14(22-15)12-4-3-7-23-12/h3-7,15H,8H2,1-2H3,(H,16,20)
InChIKeyHRLZGEXJJZSVGQ-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.83
Rot. Bonds4

About 3-acetyl-N-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-2H-1,3,4-oxadiazole-2-carboxamide

3-acetyl-N-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-2H-1,3,4-oxadiazole-2-carboxamide (PubChem CID 118738405) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is 3-acetyl-N-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-2H-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name3-acetyl-N-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-2H-1,3,4-oxadiazole-2-carboxamide
PubChem CID118738405
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC Name3-acetyl-N-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-2H-1,3,4-oxadiazole-2-carboxamide
SMILESCC(=O)N1N=C(c2cccs2)OC1C(=O)NCc1ccc(C)o1
InChIInChI=1S/C15H15N3O4S/c1-9-5-6-11(21-9)8-16-13(20)15-18(10(2)19)17-14(22-15)12-4-3-7-23-12/h3-7,15H,8H2,1-2H3,(H,16,20)
InChIKeyHRLZGEXJJZSVGQ-UHFFFAOYSA-N
XLogP1.83
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-2H-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 3-acetyl-N-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-2H-1,3,4-oxadiazole-2-carboxamide (CID 118738405) is 3-acetyl-N-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-2H-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 3-acetyl-N-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-2H-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 3-acetyl-N-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-2H-1,3,4-oxadiazole-2-carboxamide is CC(=O)N1N=C(c2cccs2)OC1C(=O)NCc1ccc(C)o1.
What is the InChIKey of 3-acetyl-N-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-2H-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is HRLZGEXJJZSVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-9-5-6-11(21-9)8-16-13(20)15-18(10(2)19)17-14(22-15)12-4-3-7-23-12/h3-7,15H,8H2,1-2H3,(H,16,20).
What are the key properties of 3-acetyl-N-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-2H-1,3,4-oxadiazole-2-carboxamide?
3-acetyl-N-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-2H-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 333.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-2H-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 118738405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).