5-acetyl-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide

C16H14N4O3S — CID 70746552

IUPAC5-acetyl-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)N(C)Cc2nc(-c3ccccn3)no2)s1
InChIInChI=1S/C16H14N4O3S/c1-10(21)12-6-7-13(24-12)16(22)20(2)9-14-18-15(19-23-14)11-5-3-4-8-17-11/h3-8H,9H2,1-2H3
InChIKeyKJRZRBIOLUMAKQ-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.67
Rot. Bonds5

About 5-acetyl-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide

5-acetyl-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide (PubChem CID 70746552) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is 5-acetyl-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide
PubChem CID70746552
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC Name5-acetyl-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)N(C)Cc2nc(-c3ccccn3)no2)s1
InChIInChI=1S/C16H14N4O3S/c1-10(21)12-6-7-13(24-12)16(22)20(2)9-14-18-15(19-23-14)11-5-3-4-8-17-11/h3-8H,9H2,1-2H3
InChIKeyKJRZRBIOLUMAKQ-UHFFFAOYSA-N
XLogP2.67
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide (CID 70746552) is 5-acetyl-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)N(C)Cc2nc(-c3ccccn3)no2)s1.
What is the InChIKey of 5-acetyl-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide?
The InChIKey is KJRZRBIOLUMAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c1-10(21)12-6-7-13(24-12)16(22)20(2)9-14-18-15(19-23-14)11-5-3-4-8-17-11/h3-8H,9H2,1-2H3.
What are the key properties of 5-acetyl-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide?
5-acetyl-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 70746552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).