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

C15H20FN3O2 — CID 64769762

IUPACN-[[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nc(C(C)(C)c2ccc(F)cc2)no1
InChIInChI=1S/C15H20FN3O2/c1-15(2,11-4-6-12(16)7-5-11)14-18-13(21-19-14)10-17-8-9-20-3/h4-7,17H,8-10H2,1-3H3
InChIKeyNKMNMPLVRAPZBE-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.27
Rot. Bonds7

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

N-[[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine (PubChem CID 64769762) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-[[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine
PubChem CID64769762
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC NameN-[[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nc(C(C)(C)c2ccc(F)cc2)no1
InChIInChI=1S/C15H20FN3O2/c1-15(2,11-4-6-12(16)7-5-11)14-18-13(21-19-14)10-17-8-9-20-3/h4-7,17H,8-10H2,1-3H3
InChIKeyNKMNMPLVRAPZBE-UHFFFAOYSA-N
XLogP2.27
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine (CID 64769762) is N-[[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine is COCCNCc1nc(C(C)(C)c2ccc(F)cc2)no1.
What is the InChIKey of N-[[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine?
The InChIKey is NKMNMPLVRAPZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-15(2,11-4-6-12(16)7-5-11)14-18-13(21-19-14)10-17-8-9-20-3/h4-7,17H,8-10H2,1-3H3.
What are the key properties of N-[[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine?
N-[[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine has a molecular weight of 293.34 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 64769762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).