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

C17H16N6O2 — CID 70704857

IUPAC5-cyclopropyl-3-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]-1,2,4-oxadiazole
SMILESc1cc(-c2ccc(-c3nccn3CCc3noc(C4CC4)n3)o2)[nH]n1
InChIInChI=1S/C17H16N6O2/c1-2-11(1)17-20-15(22-25-17)6-9-23-10-8-18-16(23)14-4-3-13(24-14)12-5-7-19-21-12/h3-5,7-8,10-11H,1-2,6,9H2,(H,19,21)
InChIKeyAUSSGNFNWVEFHO-UHFFFAOYSA-N
MW336.36 g/mol
LogP3.04
Rot. Bonds6

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

5-cyclopropyl-3-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 70704857) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 5-cyclopropyl-3-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID70704857
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC Name5-cyclopropyl-3-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]-1,2,4-oxadiazole
SMILESc1cc(-c2ccc(-c3nccn3CCc3noc(C4CC4)n3)o2)[nH]n1
InChIInChI=1S/C17H16N6O2/c1-2-11(1)17-20-15(22-25-17)6-9-23-10-8-18-16(23)14-4-3-13(24-14)12-5-7-19-21-12/h3-5,7-8,10-11H,1-2,6,9H2,(H,19,21)
InChIKeyAUSSGNFNWVEFHO-UHFFFAOYSA-N
XLogP3.04
TPSA98.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]-1,2,4-oxadiazole (CID 70704857) is 5-cyclopropyl-3-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]-1,2,4-oxadiazole is c1cc(-c2ccc(-c3nccn3CCc3noc(C4CC4)n3)o2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-3-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is AUSSGNFNWVEFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c1-2-11(1)17-20-15(22-25-17)6-9-23-10-8-18-16(23)14-4-3-13(24-14)12-5-7-19-21-12/h3-5,7-8,10-11H,1-2,6,9H2,(H,19,21).
What are the key properties of 5-cyclopropyl-3-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 336.36 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 70704857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).