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

C9H14F3N3O — CID 82008569

IUPAC4-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCC(C)CC(N)Cc1nc(C(F)(F)F)no1
InChIInChI=1S/C9H14F3N3O/c1-5(2)3-6(13)4-7-14-8(15-16-7)9(10,11)12/h5-6H,3-4,13H2,1-2H3
InChIKeyUEBBXPCQFOGIMT-UHFFFAOYSA-N
MW237.22 g/mol
LogP2.00
Rot. Bonds4

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

4-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 82008569) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 4-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID82008569
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name4-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCC(C)CC(N)Cc1nc(C(F)(F)F)no1
InChIInChI=1S/C9H14F3N3O/c1-5(2)3-6(13)4-7-14-8(15-16-7)9(10,11)12/h5-6H,3-4,13H2,1-2H3
InChIKeyUEBBXPCQFOGIMT-UHFFFAOYSA-N
XLogP2.00
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 82008043
1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 82007979
4-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]aniline
CID 104503214
N-ethyl-3-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 82007807
N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 82008567
[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 56763752
4-methyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 80681042
N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 56760730
1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 116781414
1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116741088
1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116704420
1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 116781245

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of 4-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 82008569) is 4-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for 4-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for 4-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CC(C)CC(N)Cc1nc(C(F)(F)F)no1.
What is the InChIKey of 4-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is UEBBXPCQFOGIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-5(2)3-6(13)4-7-14-8(15-16-7)9(10,11)12/h5-6H,3-4,13H2,1-2H3.
What are the key properties of 4-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
4-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 237.22 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 82008569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).