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

C9H14F3N3O — CID 43559951

IUPAC4-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-amine
SMILESCC(C)CC(C)(N)c1noc(C(F)(F)F)n1
InChIInChI=1S/C9H14F3N3O/c1-5(2)4-8(3,13)6-14-7(16-15-6)9(10,11)12/h5H,4,13H2,1-3H3
InChIKeyPHRFDYOWFPTUKZ-UHFFFAOYSA-N
MW237.22 g/mol
LogP2.31
Rot. Bonds3

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

4-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-amine (PubChem CID 43559951) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 4-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-amine
PubChem CID43559951
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name4-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-amine
SMILESCC(C)CC(C)(N)c1noc(C(F)(F)F)n1
InChIInChI=1S/C9H14F3N3O/c1-5(2)4-8(3,13)6-14-7(16-15-6)9(10,11)12/h5H,4,13H2,1-3H3
InChIKeyPHRFDYOWFPTUKZ-UHFFFAOYSA-N
XLogP2.31
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-amine?
The IUPAC name of 4-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-amine (CID 43559951) is 4-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-amine.
What is the SMILES notation for 4-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-amine?
The canonical SMILES for 4-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-amine is CC(C)CC(C)(N)c1noc(C(F)(F)F)n1.
What is the InChIKey of 4-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-amine?
The InChIKey is PHRFDYOWFPTUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-5(2)4-8(3,13)6-14-7(16-15-6)9(10,11)12/h5H,4,13H2,1-3H3.
What are the key properties of 4-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-amine?
4-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-amine has a molecular weight of 237.22 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-amine is sourced from PubChem (CID 43559951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).