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

C8H12F3N3O2 — CID 103476514

IUPACN-propyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine
SMILESCCCNc1nc(COCC(F)(F)F)no1
InChIInChI=1S/C8H12F3N3O2/c1-2-3-12-7-13-6(14-16-7)4-15-5-8(9,10)11/h2-5H2,1H3,(H,12,13,14)
InChIKeyIPUGKONXKLIAQV-UHFFFAOYSA-N
MW239.20 g/mol
LogP1.97
Rot. Bonds6

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

N-propyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine (PubChem CID 103476514) has the molecular formula C8H12F3N3O2 and a molecular weight of 239.20 g/mol. Its IUPAC name is N-propyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-propyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine
PubChem CID103476514
Molecular FormulaC8H12F3N3O2
Molecular Weight239.20 g/mol
Exact Mass239.09
IUPAC NameN-propyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine
SMILESCCCNc1nc(COCC(F)(F)F)no1
InChIInChI=1S/C8H12F3N3O2/c1-2-3-12-7-13-6(14-16-7)4-15-5-8(9,10)11/h2-5H2,1H3,(H,12,13,14)
InChIKeyIPUGKONXKLIAQV-UHFFFAOYSA-N
XLogP1.97
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-propyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine (CID 103476514) is N-propyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-propyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-propyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine is CCCNc1nc(COCC(F)(F)F)no1.
What is the InChIKey of N-propyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is IPUGKONXKLIAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2/c1-2-3-12-7-13-6(14-16-7)4-15-5-8(9,10)11/h2-5H2,1H3,(H,12,13,14).
What are the key properties of N-propyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine?
N-propyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 239.20 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 103476514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).