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

C14H15F2N3O — CID 64667284

IUPAC1-cyclopropyl-1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(N)(c1nc(Cc2cc(F)cc(F)c2)no1)C1CC1
InChIInChI=1S/C14H15F2N3O/c1-14(17,9-2-3-9)13-18-12(19-20-13)6-8-4-10(15)7-11(16)5-8/h4-5,7,9H,2-3,6,17H2,1H3
InChIKeyDJWKTIHNNONWBJ-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.52
Rot. Bonds4

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

1-cyclopropyl-1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 64667284) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-cyclopropyl-1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID64667284
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name1-cyclopropyl-1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(N)(c1nc(Cc2cc(F)cc(F)c2)no1)C1CC1
InChIInChI=1S/C14H15F2N3O/c1-14(17,9-2-3-9)13-18-12(19-20-13)6-8-4-10(15)7-11(16)5-8/h4-5,7,9H,2-3,6,17H2,1H3
InChIKeyDJWKTIHNNONWBJ-UHFFFAOYSA-N
XLogP2.52
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-cyclopropyl-1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine (CID 64667284) is 1-cyclopropyl-1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-cyclopropyl-1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine is CC(N)(c1nc(Cc2cc(F)cc(F)c2)no1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is DJWKTIHNNONWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-14(17,9-2-3-9)13-18-12(19-20-13)6-8-4-10(15)7-11(16)5-8/h4-5,7,9H,2-3,6,17H2,1H3.
What are the key properties of 1-cyclopropyl-1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
1-cyclopropyl-1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 279.29 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 64667284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).