5-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole

C13H16N6O — CID 70727485

IUPAC5-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(CCn2ccnc2-c2cnc[nH]2)n1
InChIInChI=1S/C13H16N6O/c1-9(2)12-17-11(20-18-12)3-5-19-6-4-15-13(19)10-7-14-8-16-10/h4,6-9H,3,5H2,1-2H3,(H,14,16)
InChIKeyIWQCCCYACQZFEP-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.02
Rot. Bonds5

About 5-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole

5-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 70727485) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID70727485
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name5-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(CCn2ccnc2-c2cnc[nH]2)n1
InChIInChI=1S/C13H16N6O/c1-9(2)12-17-11(20-18-12)3-5-19-6-4-15-13(19)10-7-14-8-16-10/h4,6-9H,3,5H2,1-2H3,(H,14,16)
InChIKeyIWQCCCYACQZFEP-UHFFFAOYSA-N
XLogP2.02
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 70727485) is 5-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(CCn2ccnc2-c2cnc[nH]2)n1.
What is the InChIKey of 5-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is IWQCCCYACQZFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-9(2)12-17-11(20-18-12)3-5-19-6-4-15-13(19)10-7-14-8-16-10/h4,6-9H,3,5H2,1-2H3,(H,14,16).
What are the key properties of 5-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 272.31 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 70727485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).