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

C10H16F3N3O — CID 82007728

IUPACN-ethyl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCNC(C)C(CC)c1nc(C(F)(F)F)no1
InChIInChI=1S/C10H16F3N3O/c1-4-7(6(3)14-5-2)8-15-9(16-17-8)10(11,12)13/h6-7,14H,4-5H2,1-3H3
InChIKeyVCUZDYMVBQABEM-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.58
Rot. Bonds5

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

N-ethyl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 82007728) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is N-ethyl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID82007728
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC NameN-ethyl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCNC(C)C(CC)c1nc(C(F)(F)F)no1
InChIInChI=1S/C10H16F3N3O/c1-4-7(6(3)14-5-2)8-15-9(16-17-8)10(11,12)13/h6-7,14H,4-5H2,1-3H3
InChIKeyVCUZDYMVBQABEM-UHFFFAOYSA-N
XLogP2.58
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of N-ethyl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 82007728) is N-ethyl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for N-ethyl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for N-ethyl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCNC(C)C(CC)c1nc(C(F)(F)F)no1.
What is the InChIKey of N-ethyl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is VCUZDYMVBQABEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-4-7(6(3)14-5-2)8-15-9(16-17-8)10(11,12)13/h6-7,14H,4-5H2,1-3H3.
What are the key properties of N-ethyl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
N-ethyl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 251.25 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 82007728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).