N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxyethanamine

C18H24FN3O2 — CID 91836107

IUPACN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxyethanamine
SMILESCOCCN(Cc1ccc(F)cc1)Cc1noc(C2CCCC2)n1
InChIInChI=1S/C18H24FN3O2/c1-23-11-10-22(12-14-6-8-16(19)9-7-14)13-17-20-18(24-21-17)15-4-2-3-5-15/h6-9,15H,2-5,10-13H2,1H3
InChIKeyRBUZWXMCSROFPY-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.51
Rot. Bonds8

About N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxyethanamine

N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxyethanamine (PubChem CID 91836107) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxyethanamine
PubChem CID91836107
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxyethanamine
SMILESCOCCN(Cc1ccc(F)cc1)Cc1noc(C2CCCC2)n1
InChIInChI=1S/C18H24FN3O2/c1-23-11-10-22(12-14-6-8-16(19)9-7-14)13-17-20-18(24-21-17)15-4-2-3-5-15/h6-9,15H,2-5,10-13H2,1H3
InChIKeyRBUZWXMCSROFPY-UHFFFAOYSA-N
XLogP3.51
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxyethanamine (CID 91836107) is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxyethanamine is COCCN(Cc1ccc(F)cc1)Cc1noc(C2CCCC2)n1.
What is the InChIKey of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxyethanamine?
The InChIKey is RBUZWXMCSROFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-23-11-10-22(12-14-6-8-16(19)9-7-14)13-17-20-18(24-21-17)15-4-2-3-5-15/h6-9,15H,2-5,10-13H2,1H3.
What are the key properties of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxyethanamine?
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxyethanamine has a molecular weight of 333.41 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 91836107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).