3-[[2-(5-phenylthiophen-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide

C17H13N5O2S — CID 70719629

IUPAC3-[[2-(5-phenylthiophen-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESNC(=O)c1nc(Cn2ccnc2-c2ccc(-c3ccccc3)s2)no1
InChIInChI=1S/C17H13N5O2S/c18-15(23)17-20-14(21-24-17)10-22-9-8-19-16(22)13-7-6-12(25-13)11-4-2-1-3-5-11/h1-9H,10H2,(H2,18,23)
InChIKeyLRSHHICMYYDQHG-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.81
Rot. Bonds5

About 3-[[2-(5-phenylthiophen-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide

3-[[2-(5-phenylthiophen-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 70719629) has the molecular formula C17H13N5O2S and a molecular weight of 351.39 g/mol. Its IUPAC name is 3-[[2-(5-phenylthiophen-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[[2-(5-phenylthiophen-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID70719629
Molecular FormulaC17H13N5O2S
Molecular Weight351.39 g/mol
Exact Mass351.08
IUPAC Name3-[[2-(5-phenylthiophen-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESNC(=O)c1nc(Cn2ccnc2-c2ccc(-c3ccccc3)s2)no1
InChIInChI=1S/C17H13N5O2S/c18-15(23)17-20-14(21-24-17)10-22-9-8-19-16(22)13-7-6-12(25-13)11-4-2-1-3-5-11/h1-9H,10H2,(H2,18,23)
InChIKeyLRSHHICMYYDQHG-UHFFFAOYSA-N
XLogP2.81
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(5-phenylthiophen-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[[2-(5-phenylthiophen-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 70719629) is 3-[[2-(5-phenylthiophen-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[[2-(5-phenylthiophen-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[[2-(5-phenylthiophen-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide is NC(=O)c1nc(Cn2ccnc2-c2ccc(-c3ccccc3)s2)no1.
What is the InChIKey of 3-[[2-(5-phenylthiophen-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is LRSHHICMYYDQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2S/c18-15(23)17-20-14(21-24-17)10-22-9-8-19-16(22)13-7-6-12(25-13)11-4-2-1-3-5-11/h1-9H,10H2,(H2,18,23).
What are the key properties of 3-[[2-(5-phenylthiophen-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide?
3-[[2-(5-phenylthiophen-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 351.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(5-phenylthiophen-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 70719629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).