1-[5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C16H17N3O2 — CID 120864314

IUPAC1-[5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESNC1(c2noc(/C=C/c3ccc4c(c3)CCO4)n2)CCC1
InChIInChI=1S/C16H17N3O2/c17-16(7-1-8-16)15-18-14(21-19-15)5-3-11-2-4-13-12(10-11)6-9-20-13/h2-5,10H,1,6-9,17H2/b5-3+
InChIKeyBLSAZISSQRHKFW-HWKANZROSA-N
MW283.33 g/mol
LogP2.51
Rot. Bonds3

About 1-[5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

1-[5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120864314) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120864314
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-[5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESNC1(c2noc(/C=C/c3ccc4c(c3)CCO4)n2)CCC1
InChIInChI=1S/C16H17N3O2/c17-16(7-1-8-16)15-18-14(21-19-15)5-3-11-2-4-13-12(10-11)6-9-20-13/h2-5,10H,1,6-9,17H2/b5-3+
InChIKeyBLSAZISSQRHKFW-HWKANZROSA-N
XLogP2.51
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861806
1-[5-[(E)-2-(4-methylphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853967
1-[5-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851937
5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-3-piperidin-3-yl-1,2,4-oxadiazole
CID 167780554
1-[5-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853913
1-[4-[(E)-2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]pyrrolidin-2-one
CID 120861694
1-[5-[(E)-2-(2-bromophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858673
2-[4-[(E)-2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetamide
CID 120860938
1-[5-[(E)-2-(3-propan-2-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864766
1-[5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861094
1-[5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120858594
1-[5-[(E)-2-[3-methoxy-4-(2-methylpropoxy)phenyl]ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862907

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120864314) is 1-[5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is NC1(c2noc(/C=C/c3ccc4c(c3)CCO4)n2)CCC1.
What is the InChIKey of 1-[5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is BLSAZISSQRHKFW-HWKANZROSA-N. The full InChI is InChI=1S/C16H17N3O2/c17-16(7-1-8-16)15-18-14(21-19-15)5-3-11-2-4-13-12(10-11)6-9-20-13/h2-5,10H,1,6-9,17H2/b5-3+.
What are the key properties of 1-[5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 283.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120864314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).