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

C14H12N2O4 — CID 703724

IUPAC3-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3ccco3)n2)cc1OC
InChIInChI=1S/C14H12N2O4/c1-17-10-6-5-9(8-12(10)18-2)13-15-14(20-16-13)11-4-3-7-19-11/h3-8H,1-2H3
InChIKeyCYPIQGIKLKUTEX-UHFFFAOYSA-N
MW272.26 g/mol
LogP3.01
Rot. Bonds4

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

3-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole (PubChem CID 703724) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole
PubChem CID703724
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name3-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3ccco3)n2)cc1OC
InChIInChI=1S/C14H12N2O4/c1-17-10-6-5-9(8-12(10)18-2)13-15-14(20-16-13)11-4-3-7-19-11/h3-8H,1-2H3
InChIKeyCYPIQGIKLKUTEX-UHFFFAOYSA-N
XLogP3.01
TPSA70.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-(Furan-2-yl)-1,2,4-oxadiazol-5-yl)-7-phenylheptan-1-one
CID 24951002
Ethyl 3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxylate
CID 4912763
5-(Furan-2-yl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 699740
5-(5-Bromofuran-2-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 750811
[5-Amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 969825
3-(5-Bromofuran-2-yl)-5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazole
CID 1502900
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide
CID 6462763
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylfuran-2-carboxamide
CID 6464046
[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]methyl furan-2-carboxylate
CID 9325780
5-(Furan-2-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 1946188
5-(3-Bromo-furan-2-yl)-3-(4-trifluoromethyl-phenyl)-[1,2,4]oxadiazole
CID 10109081
1-(5-(Furan-2-yl)-1,2,4-oxadiazol-3-yl)-7-phenylheptan-1-one
CID 24951157

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole (CID 703724) is 3-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole is COc1ccc(-c2noc(-c3ccco3)n2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole?
The InChIKey is CYPIQGIKLKUTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-17-10-6-5-9(8-12(10)18-2)13-15-14(20-16-13)11-4-3-7-19-11/h3-8H,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole?
3-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole has a molecular weight of 272.26 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 703724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).