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

C8H10F3N3O2 — CID 43608763

IUPAC4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxan-4-amine
SMILESNC1(c2noc(C(F)(F)F)n2)CCOCC1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)6-13-5(14-16-6)7(12)1-3-15-4-2-7/h1-4,12H2
InChIKeyUPGNXQXAOCNEES-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.05
Rot. Bonds1

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

4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxan-4-amine (PubChem CID 43608763) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxan-4-amine.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxan-4-amine
PubChem CID43608763
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxan-4-amine
SMILESNC1(c2noc(C(F)(F)F)n2)CCOCC1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)6-13-5(14-16-6)7(12)1-3-15-4-2-7/h1-4,12H2
InChIKeyUPGNXQXAOCNEES-UHFFFAOYSA-N
XLogP1.05
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxan-4-amine?
The IUPAC name of 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxan-4-amine (CID 43608763) is 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxan-4-amine.
What is the SMILES notation for 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxan-4-amine?
The canonical SMILES for 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxan-4-amine is NC1(c2noc(C(F)(F)F)n2)CCOCC1.
What is the InChIKey of 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxan-4-amine?
The InChIKey is UPGNXQXAOCNEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c9-8(10,11)6-13-5(14-16-6)7(12)1-3-15-4-2-7/h1-4,12H2.
What are the key properties of 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxan-4-amine?
4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxan-4-amine has a molecular weight of 237.18 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxan-4-amine is sourced from PubChem (CID 43608763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).