2-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole

C13H12N2O3 — CID 91006011

IUPAC2-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole
SMILESCCc1nnc(-c2cc3cccc(OC)c3o2)o1
InChIInChI=1S/C13H12N2O3/c1-3-11-14-15-13(18-11)10-7-8-5-4-6-9(16-2)12(8)17-10/h4-7H,3H2,1-2H3
InChIKeyFMQWHORZZYGVIE-UHFFFAOYSA-N
MW244.25 g/mol
LogP3.05
Rot. Bonds3

About 2-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole

2-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole (PubChem CID 91006011) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole
PubChem CID91006011
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole
SMILESCCc1nnc(-c2cc3cccc(OC)c3o2)o1
InChIInChI=1S/C13H12N2O3/c1-3-11-14-15-13(18-11)10-7-8-5-4-6-9(16-2)12(8)17-10/h4-7H,3H2,1-2H3
InChIKeyFMQWHORZZYGVIE-UHFFFAOYSA-N
XLogP3.05
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethylphenyl)-7-methoxy-1-benzofuran
CID 22734156
[3-(7-methoxy-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 53215498
N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
CID 40956673
2-(4-ethoxyphenyl)-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 40956967
N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide
CID 40956695
2-iodo-7-methoxy-1-benzofuran
CID 147263066
2-(5-bromo-2-methoxyphenyl)-5-ethyl-1,3,4-oxadiazole
CID 82184372
N-hydroxy-N-[(2S)-2-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]heptyl]formamide
CID 87069632
2-(1-cyclopentyl-5-methylpyrazol-4-yl)-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole
CID 167808170
5-(7-methoxy-1-benzofuran-2-yl)-1,2-oxazol-3-amine
CID 71480898
N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyrazole-3-carboxamide
CID 42110962
N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide
CID 40956716

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole (CID 91006011) is 2-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole is CCc1nnc(-c2cc3cccc(OC)c3o2)o1.
What is the InChIKey of 2-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole?
The InChIKey is FMQWHORZZYGVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-3-11-14-15-13(18-11)10-7-8-5-4-6-9(16-2)12(8)17-10/h4-7H,3H2,1-2H3.
What are the key properties of 2-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole?
2-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole has a molecular weight of 244.25 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 91006011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).