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

C14H12N2O3 — CID 856539

IUPAC2-(3-methoxyphenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole
SMILESCOc1cccc(-c2nnc(-c3ccc(C)o3)o2)c1
InChIInChI=1S/C14H12N2O3/c1-9-6-7-12(18-9)14-16-15-13(19-14)10-4-3-5-11(8-10)17-2/h3-8H,1-2H3
InChIKeyMTSDFVXCAXXBNS-UHFFFAOYSA-N
MW256.26 g/mol
LogP3.31
Rot. Bonds3

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

2-(3-methoxyphenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole (PubChem CID 856539) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole
PubChem CID856539
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-(3-methoxyphenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole
SMILESCOc1cccc(-c2nnc(-c3ccc(C)o3)o2)c1
InChIInChI=1S/C14H12N2O3/c1-9-6-7-12(18-9)14-16-15-13(19-14)10-4-3-5-11(8-10)17-2/h3-8H,1-2H3
InChIKeyMTSDFVXCAXXBNS-UHFFFAOYSA-N
XLogP3.31
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Furyl)-5-phenyl-1,3,4-oxadiazole
CID 84193
1-[5-(Furan-2-yl)-1,3,4-oxadiazol-2-yl]-7-phenylheptan-1-one
CID 44391726
2-(4-Chlorophenyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 707391
8-Phenyl-1-(5-pyridin-2-yl-[1,3,4]oxadiazol-2-yl)-octan-1-one
CID 44389967
[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate
CID 6460267
4-(1,3,4-Oxadiazol-2-yl)phenyl 5-methylfuran-2-carboxylate
CID 24981890
2-(Furan-2-yl)-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole
CID 687460
2-(4-Ethoxyphenyl)-5-(2-furanyl)-1,3,4-oxadiazole
CID 692974
2-(1,3-Benzodioxol-5-yl)-5-(5-bromo-2-furyl)-1,3,4-oxadiazole
CID 737596
2-(5-Bromofuran-2-yl)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole
CID 1219876
2-(4-Bromo-phenyl)-5-(5-methyl-furan-2-yl)-[1,3,4]oxadiazole
CID 647736
2-(2-Furyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 1224746

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-methoxyphenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole (CID 856539) is 2-(3-methoxyphenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-methoxyphenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-methoxyphenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole is COc1cccc(-c2nnc(-c3ccc(C)o3)o2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole?
The InChIKey is MTSDFVXCAXXBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-9-6-7-12(18-9)14-16-15-13(19-14)10-4-3-5-11(8-10)17-2/h3-8H,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole?
2-(3-methoxyphenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole has a molecular weight of 256.26 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 856539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).