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

C8H12F3N3O — CID 82008553

IUPAC1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCCCC(N)c1nc(C(F)(F)F)no1
InChIInChI=1S/C8H12F3N3O/c1-2-3-4-5(12)6-13-7(14-15-6)8(9,10)11/h5H,2-4,12H2,1H3
InChIKeyIMRSIXHDNDHTCB-UHFFFAOYSA-N
MW223.20 g/mol
LogP2.28
Rot. Bonds4

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

1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 82008553) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID82008553
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCCCC(N)c1nc(C(F)(F)F)no1
InChIInChI=1S/C8H12F3N3O/c1-2-3-4-5(12)6-13-7(14-15-6)8(9,10)11/h5H,2-4,12H2,1H3
InChIKeyIMRSIXHDNDHTCB-UHFFFAOYSA-N
XLogP2.28
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 82008553) is 1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is CCCCC(N)c1nc(C(F)(F)F)no1.
What is the InChIKey of 1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is IMRSIXHDNDHTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-2-3-4-5(12)6-13-7(14-15-6)8(9,10)11/h5H,2-4,12H2,1H3.
What are the key properties of 1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 223.20 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 82008553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).