2-(furan-2-yl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole

C16H16N2O3 — CID 652981

IUPAC2-(furan-2-yl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole
SMILESCC(C)COc1ccc(-c2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C16H16N2O3/c1-11(2)10-20-13-7-5-12(6-8-13)15-17-18-16(21-15)14-4-3-9-19-14/h3-9,11H,10H2,1-2H3
InChIKeyKRWCJEOQWFWVNY-UHFFFAOYSA-N
MW284.31 g/mol
LogP4.03
Rot. Bonds5

About 2-(furan-2-yl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole

2-(furan-2-yl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole (PubChem CID 652981) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole
PubChem CID652981
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2-(furan-2-yl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole
SMILESCC(C)COc1ccc(-c2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C16H16N2O3/c1-11(2)10-20-13-7-5-12(6-8-13)15-17-18-16(21-15)14-4-3-9-19-14/h3-9,11H,10H2,1-2H3
InChIKeyKRWCJEOQWFWVNY-UHFFFAOYSA-N
XLogP4.03
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(furan-2-yl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole (CID 652981) is 2-(furan-2-yl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(furan-2-yl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(furan-2-yl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole is CC(C)COc1ccc(-c2nnc(-c3ccco3)o2)cc1.
What is the InChIKey of 2-(furan-2-yl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole?
The InChIKey is KRWCJEOQWFWVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11(2)10-20-13-7-5-12(6-8-13)15-17-18-16(21-15)14-4-3-9-19-14/h3-9,11H,10H2,1-2H3.
What are the key properties of 2-(furan-2-yl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole?
2-(furan-2-yl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole has a molecular weight of 284.31 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 652981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).