N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(3-fluorophenyl)butan-2-amine

C18H26FN3O — CID 119133513

IUPACN-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(3-fluorophenyl)butan-2-amine
SMILESCC(CCc1cccc(F)c1)NC(C)c1nc(C(C)(C)C)no1
InChIInChI=1S/C18H26FN3O/c1-12(9-10-14-7-6-8-15(19)11-14)20-13(2)16-21-17(22-23-16)18(3,4)5/h6-8,11-13,20H,9-10H2,1-5H3
InChIKeyXZXIUEMHILIHEM-UHFFFAOYSA-N
MW319.42 g/mol
LogP4.18
Rot. Bonds6

About N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(3-fluorophenyl)butan-2-amine

N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(3-fluorophenyl)butan-2-amine (PubChem CID 119133513) has the molecular formula C18H26FN3O and a molecular weight of 319.42 g/mol. Its IUPAC name is N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(3-fluorophenyl)butan-2-amine.

Molecular Properties

Compound NameN-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(3-fluorophenyl)butan-2-amine
PubChem CID119133513
Molecular FormulaC18H26FN3O
Molecular Weight319.42 g/mol
Exact Mass319.21
IUPAC NameN-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(3-fluorophenyl)butan-2-amine
SMILESCC(CCc1cccc(F)c1)NC(C)c1nc(C(C)(C)C)no1
InChIInChI=1S/C18H26FN3O/c1-12(9-10-14-7-6-8-15(19)11-14)20-13(2)16-21-17(22-23-16)18(3,4)5/h6-8,11-13,20H,9-10H2,1-5H3
InChIKeyXZXIUEMHILIHEM-UHFFFAOYSA-N
XLogP4.18
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 114832628
N-tert-butyl-4-(3-fluorophenyl)-2-methylbutan-1-amine
CID 64663958
2-[[(2S)-4-(3-fluorophenyl)butan-2-yl]amino]-2-oxoacetic acid
CID 99784116
(2R)-4-(3-fluorophenyl)butan-2-amine
CID 22831507
6-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 53157284
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 86982425
N-[1-(2,5-difluorophenyl)ethyl]-4-phenylbutan-2-amine
CID 43110371
1-(3-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
CID 104979819
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
4-(3-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 64666671
3-[1-(3-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-1-ol
CID 104925953
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-fluorophenyl)propanoate
CID 55544383

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(3-fluorophenyl)butan-2-amine?
The IUPAC name of N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(3-fluorophenyl)butan-2-amine (CID 119133513) is N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(3-fluorophenyl)butan-2-amine.
What is the SMILES notation for N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(3-fluorophenyl)butan-2-amine?
The canonical SMILES for N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(3-fluorophenyl)butan-2-amine is CC(CCc1cccc(F)c1)NC(C)c1nc(C(C)(C)C)no1.
What is the InChIKey of N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(3-fluorophenyl)butan-2-amine?
The InChIKey is XZXIUEMHILIHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O/c1-12(9-10-14-7-6-8-15(19)11-14)20-13(2)16-21-17(22-23-16)18(3,4)5/h6-8,11-13,20H,9-10H2,1-5H3.
What are the key properties of N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(3-fluorophenyl)butan-2-amine?
N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(3-fluorophenyl)butan-2-amine has a molecular weight of 319.42 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(3-fluorophenyl)butan-2-amine is sourced from PubChem (CID 119133513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).