N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylacetamide

C13H13N5O2S — CID 25283304

IUPACN-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESCc1cc(-c2nnc(NC(=O)Cc3cccs3)o2)nn1C
InChIInChI=1S/C13H13N5O2S/c1-8-6-10(17-18(8)2)12-15-16-13(20-12)14-11(19)7-9-4-3-5-21-9/h3-6H,7H2,1-2H3,(H,14,16,19)
InChIKeyKYDJJFXUAJNKQV-UHFFFAOYSA-N
MW303.35 g/mol
LogP2.02
Rot. Bonds4

About N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylacetamide

N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 25283304) has the molecular formula C13H13N5O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylacetamide
PubChem CID25283304
Molecular FormulaC13H13N5O2S
Molecular Weight303.35 g/mol
Exact Mass303.08
IUPAC NameN-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESCc1cc(-c2nnc(NC(=O)Cc3cccs3)o2)nn1C
InChIInChI=1S/C13H13N5O2S/c1-8-6-10(17-18(8)2)12-15-16-13(20-12)14-11(19)7-9-4-3-5-21-9/h3-6H,7H2,1-2H3,(H,14,16,19)
InChIKeyKYDJJFXUAJNKQV-UHFFFAOYSA-N
XLogP2.02
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylacetamide (CID 25283304) is N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylacetamide is Cc1cc(-c2nnc(NC(=O)Cc3cccs3)o2)nn1C.
What is the InChIKey of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is KYDJJFXUAJNKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S/c1-8-6-10(17-18(8)2)12-15-16-13(20-12)14-11(19)7-9-4-3-5-21-9/h3-6H,7H2,1-2H3,(H,14,16,19).
What are the key properties of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylacetamide?
N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 303.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 25283304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).