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

C11H18F3N3O2 — CID 116703304

IUPAC2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
SMILESCCOC(c1noc(C(C)(N)C(F)(F)F)n1)C(C)C
InChIInChI=1S/C11H18F3N3O2/c1-5-18-7(6(2)3)8-16-9(19-17-8)10(4,15)11(12,13)14/h6-7H,5,15H2,1-4H3
InChIKeyNFCKOAPFKVDTLC-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.54
Rot. Bonds5

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

2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine (PubChem CID 116703304) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
PubChem CID116703304
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC Name2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
SMILESCCOC(c1noc(C(C)(N)C(F)(F)F)n1)C(C)C
InChIInChI=1S/C11H18F3N3O2/c1-5-18-7(6(2)3)8-16-9(19-17-8)10(4,15)11(12,13)14/h6-7H,5,15H2,1-4H3
InChIKeyNFCKOAPFKVDTLC-UHFFFAOYSA-N
XLogP2.54
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
CID 116702161
5-(1-chloroethyl)-3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazole
CID 116701144
3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 116733392
1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-4-methoxybutan-1-amine
CID 116703243
1,1,1-trifluoro-2-(3-propyl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 79798158
1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116732879
N-[2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine
CID 116703049
3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
CID 116732876
N-[[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 116703299
1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116703045
1,1,1-trifluoro-2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79798249
4-[[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
CID 116703171

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine (CID 116703304) is 2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine is CCOC(c1noc(C(C)(N)C(F)(F)F)n1)C(C)C.
What is the InChIKey of 2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine?
The InChIKey is NFCKOAPFKVDTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c1-5-18-7(6(2)3)8-16-9(19-17-8)10(4,15)11(12,13)14/h6-7H,5,15H2,1-4H3.
What are the key properties of 2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine?
2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine has a molecular weight of 281.28 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 116703304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).