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

C13H16FN3O — CID 62851902

IUPACN-ethyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCNCC(C)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C13H16FN3O/c1-3-15-8-9(2)13-16-12(17-18-13)10-4-6-11(14)7-5-10/h4-7,9,15H,3,8H2,1-2H3
InChIKeyXLMWTVDRCDLUIZ-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.59
Rot. Bonds5

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

N-ethyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 62851902) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is N-ethyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID62851902
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC NameN-ethyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCNCC(C)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C13H16FN3O/c1-3-15-8-9(2)13-16-12(17-18-13)10-4-6-11(14)7-5-10/h4-7,9,15H,3,8H2,1-2H3
InChIKeyXLMWTVDRCDLUIZ-UHFFFAOYSA-N
XLogP2.59
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine
CID 82810490
2-[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine
CID 107916283
N-ethyl-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63347939
N-ethyl-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62851367
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63348355
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 63347982
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 60672878
2-ethyl-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
CID 95149201
N-ethyl-3-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine
CID 62594100
2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65222968
3-(4-bromophenyl)-5-[(2S)-butan-2-yl]-1,2,4-oxadiazole
CID 90311133
5-butan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole
CID 91114628

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of N-ethyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 62851902) is N-ethyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for N-ethyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CCNCC(C)c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of N-ethyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is XLMWTVDRCDLUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-3-15-8-9(2)13-16-12(17-18-13)10-4-6-11(14)7-5-10/h4-7,9,15H,3,8H2,1-2H3.
What are the key properties of N-ethyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
N-ethyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 249.29 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 62851902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).