N-ethyl-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine

C15H20FN3O — CID 63352372

IUPACN-ethyl-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCNC(C)CCc1nc(-c2cc(F)ccc2C)no1
InChIInChI=1S/C15H20FN3O/c1-4-17-11(3)6-8-14-18-15(19-20-14)13-9-12(16)7-5-10(13)2/h5,7,9,11,17H,4,6,8H2,1-3H3
InChIKeyIAYLJEWMLGHCDP-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.11
Rot. Bonds6

About N-ethyl-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine

N-ethyl-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 63352372) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is N-ethyl-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID63352372
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC NameN-ethyl-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCNC(C)CCc1nc(-c2cc(F)ccc2C)no1
InChIInChI=1S/C15H20FN3O/c1-4-17-11(3)6-8-14-18-15(19-20-14)13-9-12(16)7-5-10(13)2/h5,7,9,11,17H,4,6,8H2,1-3H3
InChIKeyIAYLJEWMLGHCDP-UHFFFAOYSA-N
XLogP3.11
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of N-ethyl-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 63352372) is N-ethyl-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for N-ethyl-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for N-ethyl-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CCNC(C)CCc1nc(-c2cc(F)ccc2C)no1.
What is the InChIKey of N-ethyl-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is IAYLJEWMLGHCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-4-17-11(3)6-8-14-18-15(19-20-14)13-9-12(16)7-5-10(13)2/h5,7,9,11,17H,4,6,8H2,1-3H3.
What are the key properties of N-ethyl-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
N-ethyl-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 277.34 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 63352372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).