2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine

C10H16F3N3O2 — CID 116702161

IUPAC2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
SMILESCCOC(CC)c1noc(C(C)(N)C(F)(F)F)n1
InChIInChI=1S/C10H16F3N3O2/c1-4-6(17-5-2)7-15-8(18-16-7)9(3,14)10(11,12)13/h6H,4-5,14H2,1-3H3
InChIKeyAYWIJLDAXWYKAP-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.29
Rot. Bonds5

About 2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine

2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine (PubChem CID 116702161) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
PubChem CID116702161
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC Name2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
SMILESCCOC(CC)c1noc(C(C)(N)C(F)(F)F)n1
InChIInChI=1S/C10H16F3N3O2/c1-4-6(17-5-2)7-15-8(18-16-7)9(3,14)10(11,12)13/h6H,4-5,14H2,1-3H3
InChIKeyAYWIJLDAXWYKAP-UHFFFAOYSA-N
XLogP2.29
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine (CID 116702161) is 2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine is CCOC(CC)c1noc(C(C)(N)C(F)(F)F)n1.
What is the InChIKey of 2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine?
The InChIKey is AYWIJLDAXWYKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c1-4-6(17-5-2)7-15-8(18-16-7)9(3,14)10(11,12)13/h6H,4-5,14H2,1-3H3.
What are the key properties of 2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine?
2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine has a molecular weight of 267.25 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 116702161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).