3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole

C15H12N4OS — CID 155538450

IUPAC3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1cc(C2=NCCN2)cc(-c2noc(-c3cccs3)n2)c1
InChIInChI=1S/C15H12N4OS/c1-3-10(13-16-6-7-17-13)9-11(4-1)14-18-15(20-19-14)12-5-2-8-21-12/h1-5,8-9H,6-7H2,(H,16,17)
InChIKeySTWBGRSXIAHZNN-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.81
Rot. Bonds3

About 3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole

3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 155538450) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID155538450
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1cc(C2=NCCN2)cc(-c2noc(-c3cccs3)n2)c1
InChIInChI=1S/C15H12N4OS/c1-3-10(13-16-6-7-17-13)9-11(4-1)14-18-15(20-19-14)12-5-2-8-21-12/h1-5,8-9H,6-7H2,(H,16,17)
InChIKeySTWBGRSXIAHZNN-UHFFFAOYSA-N
XLogP2.81
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole (CID 155538450) is 3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole is c1cc(C2=NCCN2)cc(-c2noc(-c3cccs3)n2)c1.
What is the InChIKey of 3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is STWBGRSXIAHZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c1-3-10(13-16-6-7-17-13)9-11(4-1)14-18-15(20-19-14)12-5-2-8-21-12/h1-5,8-9H,6-7H2,(H,16,17).
What are the key properties of 3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 296.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 155538450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).