5-[1-(methoxymethyl)cyclopropyl]-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole

C16H16N2O3 — CID 139012823

IUPAC5-[1-(methoxymethyl)cyclopropyl]-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
SMILESCOCC1(c2nc(-c3cc4cc(C)ccc4o3)no2)CC1
InChIInChI=1S/C16H16N2O3/c1-10-3-4-12-11(7-10)8-13(20-12)14-17-15(21-18-14)16(5-6-16)9-19-2/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyKMVJWBRAQQLOHJ-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.47
Rot. Bonds4

About 5-[1-(methoxymethyl)cyclopropyl]-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole

5-[1-(methoxymethyl)cyclopropyl]-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole (PubChem CID 139012823) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 5-[1-(methoxymethyl)cyclopropyl]-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(methoxymethyl)cyclopropyl]-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
PubChem CID139012823
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name5-[1-(methoxymethyl)cyclopropyl]-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
SMILESCOCC1(c2nc(-c3cc4cc(C)ccc4o3)no2)CC1
InChIInChI=1S/C16H16N2O3/c1-10-3-4-12-11(7-10)8-13(20-12)14-17-15(21-18-14)16(5-6-16)9-19-2/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyKMVJWBRAQQLOHJ-UHFFFAOYSA-N
XLogP3.47
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(methoxymethyl)cyclopropyl]-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(methoxymethyl)cyclopropyl]-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole (CID 139012823) is 5-[1-(methoxymethyl)cyclopropyl]-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(methoxymethyl)cyclopropyl]-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(methoxymethyl)cyclopropyl]-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole is COCC1(c2nc(-c3cc4cc(C)ccc4o3)no2)CC1.
What is the InChIKey of 5-[1-(methoxymethyl)cyclopropyl]-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The InChIKey is KMVJWBRAQQLOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-3-4-12-11(7-10)8-13(20-12)14-17-15(21-18-14)16(5-6-16)9-19-2/h3-4,7-8H,5-6,9H2,1-2H3.
What are the key properties of 5-[1-(methoxymethyl)cyclopropyl]-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
5-[1-(methoxymethyl)cyclopropyl]-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole has a molecular weight of 284.31 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(methoxymethyl)cyclopropyl]-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 139012823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).