N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-phenylethanamine

C17H23N3O — CID 74251170

IUPACN-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-phenylethanamine
SMILESCCN(CCc1ccccc1)Cc1noc(C2CCC2)n1
InChIInChI=1S/C17H23N3O/c1-2-20(12-11-14-7-4-3-5-8-14)13-16-18-17(21-19-16)15-9-6-10-15/h3-5,7-8,15H,2,6,9-13H2,1H3
InChIKeyNMFFOTMUKPXKAE-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.40
Rot. Bonds7

About N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-phenylethanamine

N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-phenylethanamine (PubChem CID 74251170) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-phenylethanamine.

Molecular Properties

Compound NameN-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-phenylethanamine
PubChem CID74251170
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-phenylethanamine
SMILESCCN(CCc1ccccc1)Cc1noc(C2CCC2)n1
InChIInChI=1S/C17H23N3O/c1-2-20(12-11-14-7-4-3-5-8-14)13-16-18-17(21-19-16)15-9-6-10-15/h3-5,7-8,15H,2,6,9-13H2,1H3
InChIKeyNMFFOTMUKPXKAE-UHFFFAOYSA-N
XLogP3.40
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-phenylethanamine?
The IUPAC name of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-phenylethanamine (CID 74251170) is N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-phenylethanamine.
What is the SMILES notation for N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-phenylethanamine?
The canonical SMILES for N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-phenylethanamine is CCN(CCc1ccccc1)Cc1noc(C2CCC2)n1.
What is the InChIKey of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-phenylethanamine?
The InChIKey is NMFFOTMUKPXKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-20(12-11-14-7-4-3-5-8-14)13-16-18-17(21-19-16)15-9-6-10-15/h3-5,7-8,15H,2,6,9-13H2,1H3.
What are the key properties of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-phenylethanamine?
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-phenylethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-phenylethanamine is sourced from PubChem (CID 74251170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).