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

C10H14F3N3O2 — CID 103211735

IUPAC1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(COCC(F)(F)F)n2)CCCC1
InChIInChI=1S/C10H14F3N3O2/c11-10(12,13)6-17-5-7-15-8(16-18-7)9(14)3-1-2-4-9/h1-6,14H2
InChIKeyYUQJBOCDXKVBSL-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.88
Rot. Bonds4

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

1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 103211735) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID103211735
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(COCC(F)(F)F)n2)CCCC1
InChIInChI=1S/C10H14F3N3O2/c11-10(12,13)6-17-5-7-15-8(16-18-7)9(14)3-1-2-4-9/h1-6,14H2
InChIKeyYUQJBOCDXKVBSL-UHFFFAOYSA-N
XLogP1.88
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 103211735) is 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is NC1(c2noc(COCC(F)(F)F)n2)CCCC1.
What is the InChIKey of 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is YUQJBOCDXKVBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c11-10(12,13)6-17-5-7-15-8(16-18-7)9(14)3-1-2-4-9/h1-6,14H2.
What are the key properties of 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 265.23 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 103211735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).