N-propyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine

C7H10F3N3O — CID 62595029

IUPACN-propyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine
SMILESCCCNc1nc(CC(F)(F)F)no1
InChIInChI=1S/C7H10F3N3O/c1-2-3-11-6-12-5(13-14-6)4-7(8,9)10/h2-4H2,1H3,(H,11,12,13)
InChIKeyLCIQFNSWHPBYHG-UHFFFAOYSA-N
MW209.17 g/mol
LogP2.00
Rot. Bonds4

About N-propyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine

N-propyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine (PubChem CID 62595029) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is N-propyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-propyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine
PubChem CID62595029
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC NameN-propyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine
SMILESCCCNc1nc(CC(F)(F)F)no1
InChIInChI=1S/C7H10F3N3O/c1-2-3-11-6-12-5(13-14-6)4-7(8,9)10/h2-4H2,1H3,(H,11,12,13)
InChIKeyLCIQFNSWHPBYHG-UHFFFAOYSA-N
XLogP2.00
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-propyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine (CID 62595029) is N-propyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-propyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-propyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine is CCCNc1nc(CC(F)(F)F)no1.
What is the InChIKey of N-propyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is LCIQFNSWHPBYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-2-3-11-6-12-5(13-14-6)4-7(8,9)10/h2-4H2,1H3,(H,11,12,13).
What are the key properties of N-propyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine?
N-propyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 209.17 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 62595029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).