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

C11H18F3N3O — CID 63559540

IUPACN-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
SMILESCCNC(CC)C(C)c1nc(CC(F)(F)F)no1
InChIInChI=1S/C11H18F3N3O/c1-4-8(15-5-2)7(3)10-16-9(17-18-10)6-11(12,13)14/h7-8,15H,4-6H2,1-3H3
InChIKeyNOPAUKXRFBAURC-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.67
Rot. Bonds6

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

N-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine (PubChem CID 63559540) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is N-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine.

Molecular Properties

Compound NameN-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
PubChem CID63559540
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC NameN-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
SMILESCCNC(CC)C(C)c1nc(CC(F)(F)F)no1
InChIInChI=1S/C11H18F3N3O/c1-4-8(15-5-2)7(3)10-16-9(17-18-10)6-11(12,13)14/h7-8,15H,4-6H2,1-3H3
InChIKeyNOPAUKXRFBAURC-UHFFFAOYSA-N
XLogP2.67
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 65137621
2-[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-3-amine
CID 112754325
N-ethyl-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 63562028
N-propyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 103476863
N-methyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 103151022
2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 79964951
2-[3-(3,3-dimethylbutyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine
CID 114212156
2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
CID 55220796
N-ethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348667
(1S)-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565256
2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
CID 79412396
5-[1-(azetidin-3-yl)ethyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 116682481

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The IUPAC name of N-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine (CID 63559540) is N-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine.
What is the SMILES notation for N-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The canonical SMILES for N-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine is CCNC(CC)C(C)c1nc(CC(F)(F)F)no1.
What is the InChIKey of N-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The InChIKey is NOPAUKXRFBAURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-4-8(15-5-2)7(3)10-16-9(17-18-10)6-11(12,13)14/h7-8,15H,4-6H2,1-3H3.
What are the key properties of N-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine?
N-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine has a molecular weight of 265.28 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine is sourced from PubChem (CID 63559540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).