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

C11H18F3N3O2 — CID 103472639

IUPAC3-methyl-5-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCC(CCN)CCc1nc(COCC(F)(F)F)no1
InChIInChI=1S/C11H18F3N3O2/c1-8(4-5-15)2-3-10-16-9(17-19-10)6-18-7-11(12,13)14/h8H,2-7,15H2,1H3
InChIKeyRVYHZRBNBLDQCK-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.07
Rot. Bonds8

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

3-methyl-5-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 103472639) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 3-methyl-5-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name3-methyl-5-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID103472639
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC Name3-methyl-5-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCC(CCN)CCc1nc(COCC(F)(F)F)no1
InChIInChI=1S/C11H18F3N3O2/c1-8(4-5-15)2-3-10-16-9(17-19-10)6-18-7-11(12,13)14/h8H,2-7,15H2,1H3
InChIKeyRVYHZRBNBLDQCK-UHFFFAOYSA-N
XLogP2.07
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104880602
O-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
CID 103472753
N-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 103472697
3-methyl-4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 103473247
2-methyl-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103472963
N-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 104880637
3-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103472728
N-propyl-1-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 103476838
3-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 103476792
methyl 2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 103473228
N-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 103472622
2-methoxy-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 114144549

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 3-methyl-5-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 103472639) is 3-methyl-5-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 3-methyl-5-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 3-methyl-5-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is CC(CCN)CCc1nc(COCC(F)(F)F)no1.
What is the InChIKey of 3-methyl-5-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is RVYHZRBNBLDQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c1-8(4-5-15)2-3-10-16-9(17-19-10)6-18-7-11(12,13)14/h8H,2-7,15H2,1H3.
What are the key properties of 3-methyl-5-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
3-methyl-5-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 281.28 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 103472639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).