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

C10H16F3N3O2 — CID 43559932

IUPAC4-methoxy-4-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-amine
SMILESCOC(C)(C)CC(C)(N)c1noc(C(F)(F)F)n1
InChIInChI=1S/C10H16F3N3O2/c1-8(2,17-4)5-9(3,14)6-15-7(18-16-6)10(11,12)13/h5,14H2,1-4H3
InChIKeyBWKAUXLFNBLLNT-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.08
Rot. Bonds4

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

4-methoxy-4-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-amine (PubChem CID 43559932) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is 4-methoxy-4-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-amine
PubChem CID43559932
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC Name4-methoxy-4-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-amine
SMILESCOC(C)(C)CC(C)(N)c1noc(C(F)(F)F)n1
InChIInChI=1S/C10H16F3N3O2/c1-8(2,17-4)5-9(3,14)6-15-7(18-16-6)10(11,12)13/h5,14H2,1-4H3
InChIKeyBWKAUXLFNBLLNT-UHFFFAOYSA-N
XLogP2.08
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-amine (CID 43559932) is 4-methoxy-4-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-amine is COC(C)(C)CC(C)(N)c1noc(C(F)(F)F)n1.
What is the InChIKey of 4-methoxy-4-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-amine?
The InChIKey is BWKAUXLFNBLLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c1-8(2,17-4)5-9(3,14)6-15-7(18-16-6)10(11,12)13/h5,14H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-amine?
4-methoxy-4-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-amine has a molecular weight of 267.25 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-amine is sourced from PubChem (CID 43559932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).