1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine

C18H25FN4O2 — CID 71928504

IUPAC1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCc1nc(CN(C)C2CCN(CCCOc3ccc(F)cc3)C2)no1
InChIInChI=1S/C18H25FN4O2/c1-14-20-18(21-25-14)13-22(2)16-8-10-23(12-16)9-3-11-24-17-6-4-15(19)5-7-17/h4-7,16H,3,8-13H2,1-2H3
InChIKeyFHRQDNXTFAZVPL-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.49
Rot. Bonds8

About 1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine

1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine (PubChem CID 71928504) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
PubChem CID71928504
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC Name1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCc1nc(CN(C)C2CCN(CCCOc3ccc(F)cc3)C2)no1
InChIInChI=1S/C18H25FN4O2/c1-14-20-18(21-25-14)13-22(2)16-8-10-23(12-16)9-3-11-24-17-6-4-15(19)5-7-17/h4-7,16H,3,8-13H2,1-2H3
InChIKeyFHRQDNXTFAZVPL-UHFFFAOYSA-N
XLogP2.49
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine (CID 71928504) is 1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine is Cc1nc(CN(C)C2CCN(CCCOc3ccc(F)cc3)C2)no1.
What is the InChIKey of 1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
The InChIKey is FHRQDNXTFAZVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2/c1-14-20-18(21-25-14)13-22(2)16-8-10-23(12-16)9-3-11-24-17-6-4-15(19)5-7-17/h4-7,16H,3,8-13H2,1-2H3.
What are the key properties of 1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine has a molecular weight of 348.42 g/mol, XLogP of 2.49, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 71928504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).