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

C10H16F3N3O — CID 43559929

IUPAC5-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexan-2-amine
SMILESCC(C)CCC(C)(N)c1noc(C(F)(F)F)n1
InChIInChI=1S/C10H16F3N3O/c1-6(2)4-5-9(3,14)7-15-8(17-16-7)10(11,12)13/h6H,4-5,14H2,1-3H3
InChIKeyZKHQAQIBSCTKRI-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.70
Rot. Bonds4

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

5-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexan-2-amine (PubChem CID 43559929) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 5-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexan-2-amine.

Molecular Properties

Compound Name5-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexan-2-amine
PubChem CID43559929
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name5-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexan-2-amine
SMILESCC(C)CCC(C)(N)c1noc(C(F)(F)F)n1
InChIInChI=1S/C10H16F3N3O/c1-6(2)4-5-9(3,14)7-15-8(17-16-7)10(11,12)13/h6H,4-5,14H2,1-3H3
InChIKeyZKHQAQIBSCTKRI-UHFFFAOYSA-N
XLogP2.70
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexan-2-amine?
The IUPAC name of 5-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexan-2-amine (CID 43559929) is 5-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexan-2-amine.
What is the SMILES notation for 5-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexan-2-amine?
The canonical SMILES for 5-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexan-2-amine is CC(C)CCC(C)(N)c1noc(C(F)(F)F)n1.
What is the InChIKey of 5-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexan-2-amine?
The InChIKey is ZKHQAQIBSCTKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-6(2)4-5-9(3,14)7-15-8(17-16-7)10(11,12)13/h6H,4-5,14H2,1-3H3.
What are the key properties of 5-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexan-2-amine?
5-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexan-2-amine has a molecular weight of 251.25 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexan-2-amine is sourced from PubChem (CID 43559929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).