N-propyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

C12H20F3N3O — CID 63350417

IUPACN-propyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCNC(CCC)Cc1nc(CC(F)(F)F)no1
InChIInChI=1S/C12H20F3N3O/c1-3-5-9(16-6-4-2)7-11-17-10(18-19-11)8-12(13,14)15/h9,16H,3-8H2,1-2H3
InChIKeyOFAMCJDFOIXBSC-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.89
Rot. Bonds8

About N-propyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

N-propyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 63350417) has the molecular formula C12H20F3N3O and a molecular weight of 279.31 g/mol. Its IUPAC name is N-propyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound NameN-propyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID63350417
Molecular FormulaC12H20F3N3O
Molecular Weight279.31 g/mol
Exact Mass279.16
IUPAC NameN-propyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCNC(CCC)Cc1nc(CC(F)(F)F)no1
InChIInChI=1S/C12H20F3N3O/c1-3-5-9(16-6-4-2)7-11-17-10(18-19-11)8-12(13,14)15/h9,16H,3-8H2,1-2H3
InChIKeyOFAMCJDFOIXBSC-UHFFFAOYSA-N
XLogP2.89
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-1-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 103476823
3,3-dimethyl-N-propyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350459
1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 79085499
1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350324
N-[1-cyclopropyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 63350636
1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 79604725
1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 79712947
1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63350604
1-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-2-amine
CID 65138207
N-propyl-1-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 103476838
N-methyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350502
1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65093902

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of N-propyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 63350417) is N-propyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for N-propyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for N-propyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCCNC(CCC)Cc1nc(CC(F)(F)F)no1.
What is the InChIKey of N-propyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is OFAMCJDFOIXBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O/c1-3-5-9(16-6-4-2)7-11-17-10(18-19-11)8-12(13,14)15/h9,16H,3-8H2,1-2H3.
What are the key properties of N-propyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
N-propyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 279.31 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 63350417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).