2-ethoxy-5-[4-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]-1,3,4-oxadiazole

C15H14N2O5 — CID 22729263

IUPAC2-ethoxy-5-[4-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]-1,3,4-oxadiazole
SMILESCCOc1nnc(-c2cc3c(OCC4CO4)cccc3o2)o1
InChIInChI=1S/C15H14N2O5/c1-2-18-15-17-16-14(22-15)13-6-10-11(20-8-9-7-19-9)4-3-5-12(10)21-13/h3-6,9H,2,7-8H2,1H3
InChIKeyHTYBPCZHYUQLTC-UHFFFAOYSA-N
MW302.29 g/mol
LogP2.66
Rot. Bonds6

About 2-ethoxy-5-[4-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]-1,3,4-oxadiazole

2-ethoxy-5-[4-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]-1,3,4-oxadiazole (PubChem CID 22729263) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is 2-ethoxy-5-[4-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethoxy-5-[4-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]-1,3,4-oxadiazole
PubChem CID22729263
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name2-ethoxy-5-[4-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]-1,3,4-oxadiazole
SMILESCCOc1nnc(-c2cc3c(OCC4CO4)cccc3o2)o1
InChIInChI=1S/C15H14N2O5/c1-2-18-15-17-16-14(22-15)13-6-10-11(20-8-9-7-19-9)4-3-5-12(10)21-13/h3-6,9H,2,7-8H2,1H3
InChIKeyHTYBPCZHYUQLTC-UHFFFAOYSA-N
XLogP2.66
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[4-[[(2S)-oxiran-2-yl]methoxy]-1-benzofuran-2-yl]-5-propan-2-yl-1,3,4-oxadiazole
CID 87858757
2-(2-methylpropyl)-5-[4-[[(2S)-oxiran-2-yl]methoxy]-1-benzofuran-2-yl]-1,3,4-oxadiazole
CID 87858790
2-(oxiran-2-ylmethoxy)-5-phenyl-1,3,4-oxadiazole
CID 54351767
2-[[2-(ethoxymethoxy)-6-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 170966170
2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane
CID 129074160
2-methyl-4-(oxiran-2-ylmethoxy)-1,3-benzoxazole
CID 86209722
ethane;1-[4-(4-methoxy-2-methylphenyl)piperidin-1-yl]-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol
CID 142942868
5-(oxiran-2-ylmethoxy)naphthalen-1-ol
CID 13305201
(2S)-1-[4-(3,4-dimethylphenyl)piperidin-1-yl]-3-[[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol
CID 21306452
1,4-diethylbenzene;methane;bis(2-(naphthalen-1-yloxymethyl)oxirane)
CID 158268997
ethane;2-[(2-methylphenoxy)methyl]oxirane;bis(2-(naphthalen-1-yloxymethyl)oxirane);propane
CID 158467140
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-[4-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethoxy-5-[4-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]-1,3,4-oxadiazole (CID 22729263) is 2-ethoxy-5-[4-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethoxy-5-[4-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethoxy-5-[4-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]-1,3,4-oxadiazole is CCOc1nnc(-c2cc3c(OCC4CO4)cccc3o2)o1.
What is the InChIKey of 2-ethoxy-5-[4-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]-1,3,4-oxadiazole?
The InChIKey is HTYBPCZHYUQLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-2-18-15-17-16-14(22-15)13-6-10-11(20-8-9-7-19-9)4-3-5-12(10)21-13/h3-6,9H,2,7-8H2,1H3.
What are the key properties of 2-ethoxy-5-[4-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]-1,3,4-oxadiazole?
2-ethoxy-5-[4-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]-1,3,4-oxadiazole has a molecular weight of 302.29 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-[4-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 22729263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).