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

C15H12N4OS — CID 150956546

IUPAC5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1csc(-c2noc(-c3ccc(C4=NCCN4)cc3)n2)c1
InChIInChI=1S/C15H12N4OS/c1-2-12(21-9-1)14-18-15(20-19-14)11-5-3-10(4-6-11)13-16-7-8-17-13/h1-6,9H,7-8H2,(H,16,17)
InChIKeyLLEZBBWJEOGCDU-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.81
Rot. Bonds3

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

5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 150956546) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID150956546
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1csc(-c2noc(-c3ccc(C4=NCCN4)cc3)n2)c1
InChIInChI=1S/C15H12N4OS/c1-2-12(21-9-1)14-18-15(20-19-14)11-5-3-10(4-6-11)13-16-7-8-17-13/h1-6,9H,7-8H2,(H,16,17)
InChIKeyLLEZBBWJEOGCDU-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 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 150956546) is 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole is c1csc(-c2noc(-c3ccc(C4=NCCN4)cc3)n2)c1.
What is the InChIKey of 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is LLEZBBWJEOGCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c1-2-12(21-9-1)14-18-15(20-19-14)11-5-3-10(4-6-11)13-16-7-8-17-13/h1-6,9H,7-8H2,(H,16,17).
What are the key properties of 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-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 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 150956546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).