2-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine

C13H17N3O2 — CID 113454327

IUPAC2-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCc1ccoc1-c1noc(C2(C)CCCC2N)n1
InChIInChI=1S/C13H17N3O2/c1-8-5-7-17-10(8)11-15-12(18-16-11)13(2)6-3-4-9(13)14/h5,7,9H,3-4,6,14H2,1-2H3
InChIKeyUDFKXCWYNMUCIU-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.41
Rot. Bonds2

About 2-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine

2-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (PubChem CID 113454327) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
PubChem CID113454327
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCc1ccoc1-c1noc(C2(C)CCCC2N)n1
InChIInChI=1S/C13H17N3O2/c1-8-5-7-17-10(8)11-15-12(18-16-11)13(2)6-3-4-9(13)14/h5,7,9H,3-4,6,14H2,1-2H3
InChIKeyUDFKXCWYNMUCIU-UHFFFAOYSA-N
XLogP2.41
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The IUPAC name of 2-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (CID 113454327) is 2-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.
What is the SMILES notation for 2-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The canonical SMILES for 2-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is Cc1ccoc1-c1noc(C2(C)CCCC2N)n1.
What is the InChIKey of 2-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The InChIKey is UDFKXCWYNMUCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8-5-7-17-10(8)11-15-12(18-16-11)13(2)6-3-4-9(13)14/h5,7,9H,3-4,6,14H2,1-2H3.
What are the key properties of 2-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
2-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine has a molecular weight of 247.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is sourced from PubChem (CID 113454327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).