2-(furan-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole

C13H10N2O3 — CID 1224746

IUPAC2-(furan-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1cccc(-c2nnc(-c3ccco3)o2)c1
InChIInChI=1S/C13H10N2O3/c1-16-10-5-2-4-9(8-10)12-14-15-13(18-12)11-6-3-7-17-11/h2-8H,1H3
InChIKeyMGCUFJDKHPOQEC-UHFFFAOYSA-N
MW242.23 g/mol
LogP3.01
Rot. Bonds3

About 2-(furan-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole

2-(furan-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 1224746) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID1224746
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name2-(furan-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1cccc(-c2nnc(-c3ccco3)o2)c1
InChIInChI=1S/C13H10N2O3/c1-16-10-5-2-4-9(8-10)12-14-15-13(18-12)11-6-3-7-17-11/h2-8H,1H3
InChIKeyMGCUFJDKHPOQEC-UHFFFAOYSA-N
XLogP3.01
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 53.01
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-(3-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(furan-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole (CID 1224746) is 2-(furan-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(furan-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(furan-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole is COc1cccc(-c2nnc(-c3ccco3)o2)c1.
What is the InChIKey of 2-(furan-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is MGCUFJDKHPOQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c1-16-10-5-2-4-9(8-10)12-14-15-13(18-12)11-6-3-7-17-11/h2-8H,1H3.
What are the key properties of 2-(furan-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole?
2-(furan-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 242.23 g/mol, XLogP of 3.01, 3 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-(3-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 1224746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).