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

C15H14N2O4 — CID 644574

IUPAC2-(2,5-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole
SMILESCOc1ccc(OC)c(-c2nnc(-c3ccc(C)o3)o2)c1
InChIInChI=1S/C15H14N2O4/c1-9-4-6-13(20-9)15-17-16-14(21-15)11-8-10(18-2)5-7-12(11)19-3/h4-8H,1-3H3
InChIKeyOKEQHMGHHFSGJW-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.32
Rot. Bonds4

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

2-(2,5-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole (PubChem CID 644574) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole
PubChem CID644574
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-(2,5-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole
SMILESCOc1ccc(OC)c(-c2nnc(-c3ccc(C)o3)o2)c1
InChIInChI=1S/C15H14N2O4/c1-9-4-6-13(20-9)15-17-16-14(21-15)11-8-10(18-2)5-7-12(11)19-3/h4-8H,1-3H3
InChIKeyOKEQHMGHHFSGJW-UHFFFAOYSA-N
XLogP3.32
TPSA70.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62138105
2-(3-chloropropyl)-5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazole
CID 39382548
N-[[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62138524
N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 16854277
2-(2,5-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
CID 91684024
2-[[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 43952703
N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 16854290
N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 42110507
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
5-(2,5-dimethoxyphenyl)-1,2-oxazole
CID 65240254
[5-(2,5-dimethoxyphenyl)furan-2-yl]methanamine
CID 106887065
2-(4-methoxyphenyl)-5-methylfuran
CID 11171456

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole (CID 644574) is 2-(2,5-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole is COc1ccc(OC)c(-c2nnc(-c3ccc(C)o3)o2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole?
The InChIKey is OKEQHMGHHFSGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-9-4-6-13(20-9)15-17-16-14(21-15)11-8-10(18-2)5-7-12(11)19-3/h4-8H,1-3H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole?
2-(2,5-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole has a molecular weight of 286.29 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 644574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).