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

C9H14F3N3O — CID 82008567

IUPACN-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCNC(CC)Cc1nc(C(F)(F)F)no1
InChIInChI=1S/C9H14F3N3O/c1-3-6(13-4-2)5-7-14-8(15-16-7)9(10,11)12/h6,13H,3-5H2,1-2H3
InChIKeyRNTWFVAMVBCVRJ-UHFFFAOYSA-N
MW237.22 g/mol
LogP2.02
Rot. Bonds5

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

N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 82008567) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID82008567
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC NameN-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCNC(CC)Cc1nc(C(F)(F)F)no1
InChIInChI=1S/C9H14F3N3O/c1-3-6(13-4-2)5-7-14-8(15-16-7)9(10,11)12/h6,13H,3-5H2,1-2H3
InChIKeyRNTWFVAMVBCVRJ-UHFFFAOYSA-N
XLogP2.02
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 82007807
1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 82007979
N-ethyl-1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116780973
1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine
CID 116733645
N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82008570
N-ethyl-1-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350714
1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-2-amine
CID 116781080
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 63347289
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 116809352
N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 56760730
4-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82008569
N-ethyl-1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 106793455

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 82008567) is N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CCNC(CC)Cc1nc(C(F)(F)F)no1.
What is the InChIKey of N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is RNTWFVAMVBCVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-3-6(13-4-2)5-7-14-8(15-16-7)9(10,11)12/h6,13H,3-5H2,1-2H3.
What are the key properties of N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 237.22 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 82008567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).