N-propan-2-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine

C10H16F3N3O — CID 55039650

IUPACN-propan-2-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCC(C)NCCCc1nnc(CC(F)(F)F)o1
InChIInChI=1S/C10H16F3N3O/c1-7(2)14-5-3-4-8-15-16-9(17-8)6-10(11,12)13/h7,14H,3-6H2,1-2H3
InChIKeyJEVNRVHSHQIAOT-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.11
Rot. Bonds6

About N-propan-2-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine

N-propan-2-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 55039650) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is N-propan-2-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID55039650
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC NameN-propan-2-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCC(C)NCCCc1nnc(CC(F)(F)F)o1
InChIInChI=1S/C10H16F3N3O/c1-7(2)14-5-3-4-8-15-16-9(17-8)6-10(11,12)13/h7,14H,3-6H2,1-2H3
InChIKeyJEVNRVHSHQIAOT-UHFFFAOYSA-N
XLogP2.11
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of N-propan-2-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 55039650) is N-propan-2-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-propan-2-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for N-propan-2-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CC(C)NCCCc1nnc(CC(F)(F)F)o1.
What is the InChIKey of N-propan-2-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is JEVNRVHSHQIAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-7(2)14-5-3-4-8-15-16-9(17-8)6-10(11,12)13/h7,14H,3-6H2,1-2H3.
What are the key properties of N-propan-2-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
N-propan-2-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 251.25 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 55039650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).