5-(1-methoxycyclobutyl)-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole

C16H16N2O3 — CID 139012825

IUPAC5-(1-methoxycyclobutyl)-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
SMILESCOC1(c2nc(-c3cc4cc(C)ccc4o3)no2)CCC1
InChIInChI=1S/C16H16N2O3/c1-10-4-5-12-11(8-10)9-13(20-12)14-17-15(21-18-14)16(19-2)6-3-7-16/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyZMFUKMBMVRUESK-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.82
Rot. Bonds3

About 5-(1-methoxycyclobutyl)-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole

5-(1-methoxycyclobutyl)-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole (PubChem CID 139012825) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 5-(1-methoxycyclobutyl)-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-methoxycyclobutyl)-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
PubChem CID139012825
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name5-(1-methoxycyclobutyl)-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
SMILESCOC1(c2nc(-c3cc4cc(C)ccc4o3)no2)CCC1
InChIInChI=1S/C16H16N2O3/c1-10-4-5-12-11(8-10)9-13(20-12)14-17-15(21-18-14)16(19-2)6-3-7-16/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyZMFUKMBMVRUESK-UHFFFAOYSA-N
XLogP3.82
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(methoxymethyl)cyclopropyl]-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
CID 139012823
5-(1-methoxycyclohexyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 126813335
3-(5-chloro-7-methyl-1-benzofuran-2-yl)-5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazole
CID 154745636
(1-methoxycyclobutyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114726107
2-(1-methoxycyclobutyl)-6-methylquinoline;1-(6-methylquinolin-2-yl)cyclobutan-1-ol
CID 176888208
5-cyclohexyl-3-(5-methyl-1-benzofuran-2-yl)-1H-1,2,4-triazole
CID 63549541
2-chloro-5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole
CID 114770729
3-(chloromethyl)-5-(1-methoxycyclohexyl)-1,2,4-oxadiazole
CID 164649556
4-chloro-6-(5-methyl-1-benzofuran-2-yl)-1,3,5-triazin-2-amine
CID 83240225
[5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 55012566
3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole
CID 126826089
3-(2-chlorophenyl)-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 119999951

Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxycyclobutyl)-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1-methoxycyclobutyl)-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole (CID 139012825) is 5-(1-methoxycyclobutyl)-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-methoxycyclobutyl)-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-methoxycyclobutyl)-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole is COC1(c2nc(-c3cc4cc(C)ccc4o3)no2)CCC1.
What is the InChIKey of 5-(1-methoxycyclobutyl)-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The InChIKey is ZMFUKMBMVRUESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-4-5-12-11(8-10)9-13(20-12)14-17-15(21-18-14)16(19-2)6-3-7-16/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of 5-(1-methoxycyclobutyl)-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
5-(1-methoxycyclobutyl)-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole has a molecular weight of 284.31 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxycyclobutyl)-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 139012825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).