3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine

C15H20FN3O — CID 63348355

IUPAC3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C15H20FN3O/c1-4-9-17-11(3)10(2)15-18-14(19-20-15)12-5-7-13(16)8-6-12/h5-8,10-11,17H,4,9H2,1-3H3
InChIKeyRMNYRHGPFVPIJE-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.37
Rot. Bonds6

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

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine (PubChem CID 63348355) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
PubChem CID63348355
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C15H20FN3O/c1-4-9-17-11(3)10(2)15-18-14(19-20-15)12-5-7-13(16)8-6-12/h5-8,10-11,17H,4,9H2,1-3H3
InChIKeyRMNYRHGPFVPIJE-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 63347982
N-ethyl-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63347939
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
CID 63560287
N-ethyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63348679
1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
CID 63348126
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 63347248
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
CID 63560867
N-ethyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62851902
N-ethyl-3-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350803
3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 79713030
2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65222968
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 60672066

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine?
The IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine (CID 63348355) is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine is CCCNC(C)C(C)c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine?
The InChIKey is RMNYRHGPFVPIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-4-9-17-11(3)10(2)15-18-14(19-20-15)12-5-7-13(16)8-6-12/h5-8,10-11,17H,4,9H2,1-3H3.
What are the key properties of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine?
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine has a molecular weight of 277.34 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine is sourced from PubChem (CID 63348355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).