N-ethyl-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanamine

C15H20FN3O — CID 64768786

IUPACN-ethyl-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCNC(C)c1nc(C(C)(C)c2ccc(F)cc2)no1
InChIInChI=1S/C15H20FN3O/c1-5-17-10(2)13-18-14(19-20-13)15(3,4)11-6-8-12(16)9-7-11/h6-10,17H,5H2,1-4H3
InChIKeyRGHMTMJRDKAOJZ-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.21
Rot. Bonds5

About N-ethyl-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanamine

N-ethyl-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 64768786) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is N-ethyl-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID64768786
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC NameN-ethyl-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCNC(C)c1nc(C(C)(C)c2ccc(F)cc2)no1
InChIInChI=1S/C15H20FN3O/c1-5-17-10(2)13-18-14(19-20-13)15(3,4)11-6-8-12(16)9-7-11/h6-10,17H,5H2,1-4H3
InChIKeyRGHMTMJRDKAOJZ-UHFFFAOYSA-N
XLogP3.21
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanamine (CID 64768786) is N-ethyl-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanamine is CCNC(C)c1nc(C(C)(C)c2ccc(F)cc2)no1.
What is the InChIKey of N-ethyl-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is RGHMTMJRDKAOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-5-17-10(2)13-18-14(19-20-13)15(3,4)11-6-8-12(16)9-7-11/h6-10,17H,5H2,1-4H3.
What are the key properties of N-ethyl-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanamine?
N-ethyl-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 277.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 64768786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).