3-phenyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide

C14H11N3O2S — CID 6471570

IUPAC3-phenyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1cccs1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C14H11N3O2S/c18-13(15-9-11-7-4-8-20-11)14-16-12(17-19-14)10-5-2-1-3-6-10/h1-8H,9H2,(H,15,18)
InChIKeyDIMBEIOZTQIOMG-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.73
Rot. Bonds4

About 3-phenyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide

3-phenyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 6471570) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 3-phenyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID6471570
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name3-phenyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1cccs1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C14H11N3O2S/c18-13(15-9-11-7-4-8-20-11)14-16-12(17-19-14)10-5-2-1-3-6-10/h1-8H,9H2,(H,15,18)
InChIKeyDIMBEIOZTQIOMG-UHFFFAOYSA-N
XLogP2.73
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-phenyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide (CID 6471570) is 3-phenyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-phenyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-phenyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide is O=C(NCc1cccs1)c1nc(-c2ccccc2)no1.
What is the InChIKey of 3-phenyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is DIMBEIOZTQIOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c18-13(15-9-11-7-4-8-20-11)14-16-12(17-19-14)10-5-2-1-3-6-10/h1-8H,9H2,(H,15,18).
What are the key properties of 3-phenyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
3-phenyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 6471570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).