1-[5-(1-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine

C13H23N3O2 — CID 104634646

IUPAC1-[5-(1-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
SMILESCC(C)OCC(N)c1noc(C2(C)CCCC2)n1
InChIInChI=1S/C13H23N3O2/c1-9(2)17-8-10(14)11-15-12(18-16-11)13(3)6-4-5-7-13/h9-10H,4-8,14H2,1-3H3
InChIKeyIGFBXGWIDALQOY-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.33
Rot. Bonds5

About 1-[5-(1-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine

1-[5-(1-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine (PubChem CID 104634646) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[5-(1-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-[5-(1-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
PubChem CID104634646
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-[5-(1-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
SMILESCC(C)OCC(N)c1noc(C2(C)CCCC2)n1
InChIInChI=1S/C13H23N3O2/c1-9(2)17-8-10(14)11-15-12(18-16-11)13(3)6-4-5-7-13/h9-10H,4-8,14H2,1-3H3
InChIKeyIGFBXGWIDALQOY-UHFFFAOYSA-N
XLogP2.33
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine?
The IUPAC name of 1-[5-(1-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine (CID 104634646) is 1-[5-(1-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-[5-(1-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-[5-(1-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine is CC(C)OCC(N)c1noc(C2(C)CCCC2)n1.
What is the InChIKey of 1-[5-(1-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine?
The InChIKey is IGFBXGWIDALQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(2)17-8-10(14)11-15-12(18-16-11)13(3)6-4-5-7-13/h9-10H,4-8,14H2,1-3H3.
What are the key properties of 1-[5-(1-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine?
1-[5-(1-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine has a molecular weight of 253.35 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine is sourced from PubChem (CID 104634646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).