5-(furan-2-yl)-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazol-2-one

C18H16N4O4 — CID 51111100

IUPAC5-(furan-2-yl)-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazol-2-one
SMILESCC(C)c1ccc(-c2noc(Cn3nc(-c4ccco4)oc3=O)n2)cc1
InChIInChI=1S/C18H16N4O4/c1-11(2)12-5-7-13(8-6-12)16-19-15(26-21-16)10-22-18(23)25-17(20-22)14-4-3-9-24-14/h3-9,11H,10H2,1-2H3
InChIKeyOLJWZDCWNOGRBF-UHFFFAOYSA-N
MW352.35 g/mol
LogP3.32
Rot. Bonds5

About 5-(furan-2-yl)-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazol-2-one

5-(furan-2-yl)-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazol-2-one (PubChem CID 51111100) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(furan-2-yl)-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazol-2-one
PubChem CID51111100
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Name5-(furan-2-yl)-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazol-2-one
SMILESCC(C)c1ccc(-c2noc(Cn3nc(-c4ccco4)oc3=O)n2)cc1
InChIInChI=1S/C18H16N4O4/c1-11(2)12-5-7-13(8-6-12)16-19-15(26-21-16)10-22-18(23)25-17(20-22)14-4-3-9-24-14/h3-9,11H,10H2,1-2H3
InChIKeyOLJWZDCWNOGRBF-UHFFFAOYSA-N
XLogP3.32
TPSA100.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(furan-2-yl)-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazol-2-one (CID 51111100) is 5-(furan-2-yl)-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(furan-2-yl)-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(furan-2-yl)-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazol-2-one is CC(C)c1ccc(-c2noc(Cn3nc(-c4ccco4)oc3=O)n2)cc1.
What is the InChIKey of 5-(furan-2-yl)-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazol-2-one?
The InChIKey is OLJWZDCWNOGRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-11(2)12-5-7-13(8-6-12)16-19-15(26-21-16)10-22-18(23)25-17(20-22)14-4-3-9-24-14/h3-9,11H,10H2,1-2H3.
What are the key properties of 5-(furan-2-yl)-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazol-2-one?
5-(furan-2-yl)-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazol-2-one has a molecular weight of 352.35 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 51111100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).