1-cyclopropyl-2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine

C14H15F2N3O — CID 64560082

IUPAC1-cyclopropyl-2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNC(Cc1nc(Cc2ccc(F)cc2F)no1)C1CC1
InChIInChI=1S/C14H15F2N3O/c15-10-4-3-9(11(16)6-10)5-13-18-14(20-19-13)7-12(17)8-1-2-8/h3-4,6,8,12H,1-2,5,7,17H2
InChIKeyVOYAOLDQIVENLG-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.22
Rot. Bonds5

About 1-cyclopropyl-2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine

1-cyclopropyl-2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 64560082) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID64560082
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name1-cyclopropyl-2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNC(Cc1nc(Cc2ccc(F)cc2F)no1)C1CC1
InChIInChI=1S/C14H15F2N3O/c15-10-4-3-9(11(16)6-10)5-13-18-14(20-19-13)7-12(17)8-1-2-8/h3-4,6,8,12H,1-2,5,7,17H2
InChIKeyVOYAOLDQIVENLG-UHFFFAOYSA-N
XLogP2.22
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanamine
CID 107280288
2-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanamine
CID 63347141
1-[[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 64671485
3-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106525512
1-cyclopropyl-2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 63352306
1-cyclopropyl-2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 55200681
(1S)-2-amino-1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 114006968
1-cyclopropyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 62196245
1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81161653
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347649
2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82763990
1-cyclopropyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 55203184

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-cyclopropyl-2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine (CID 64560082) is 1-cyclopropyl-2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-cyclopropyl-2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine is NC(Cc1nc(Cc2ccc(F)cc2F)no1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is VOYAOLDQIVENLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c15-10-4-3-9(11(16)6-10)5-13-18-14(20-19-13)7-12(17)8-1-2-8/h3-4,6,8,12H,1-2,5,7,17H2.
What are the key properties of 1-cyclopropyl-2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
1-cyclopropyl-2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 279.29 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 64560082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).