2-[(4-fluorophenoxy)methyl]-5-(1-methylpyrrolidin-3-yl)-1,3,4-oxadiazole

C14H16FN3O2 — CID 75615590

IUPAC2-[(4-fluorophenoxy)methyl]-5-(1-methylpyrrolidin-3-yl)-1,3,4-oxadiazole
SMILESCN1CCC(c2nnc(COc3ccc(F)cc3)o2)C1
InChIInChI=1S/C14H16FN3O2/c1-18-7-6-10(8-18)14-17-16-13(20-14)9-19-12-4-2-11(15)3-5-12/h2-5,10H,6-9H2,1H3
InChIKeyDYBFRVJYYXLAGI-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.21
Rot. Bonds4

About 2-[(4-fluorophenoxy)methyl]-5-(1-methylpyrrolidin-3-yl)-1,3,4-oxadiazole

2-[(4-fluorophenoxy)methyl]-5-(1-methylpyrrolidin-3-yl)-1,3,4-oxadiazole (PubChem CID 75615590) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-5-(1-methylpyrrolidin-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-5-(1-methylpyrrolidin-3-yl)-1,3,4-oxadiazole
PubChem CID75615590
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name2-[(4-fluorophenoxy)methyl]-5-(1-methylpyrrolidin-3-yl)-1,3,4-oxadiazole
SMILESCN1CCC(c2nnc(COc3ccc(F)cc3)o2)C1
InChIInChI=1S/C14H16FN3O2/c1-18-7-6-10(8-18)14-17-16-13(20-14)9-19-12-4-2-11(15)3-5-12/h2-5,10H,6-9H2,1H3
InChIKeyDYBFRVJYYXLAGI-UHFFFAOYSA-N
XLogP2.21
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-5-(1-methylpyrrolidin-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-5-(1-methylpyrrolidin-3-yl)-1,3,4-oxadiazole (CID 75615590) is 2-[(4-fluorophenoxy)methyl]-5-(1-methylpyrrolidin-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-5-(1-methylpyrrolidin-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-5-(1-methylpyrrolidin-3-yl)-1,3,4-oxadiazole is CN1CCC(c2nnc(COc3ccc(F)cc3)o2)C1.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-5-(1-methylpyrrolidin-3-yl)-1,3,4-oxadiazole?
The InChIKey is DYBFRVJYYXLAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-18-7-6-10(8-18)14-17-16-13(20-14)9-19-12-4-2-11(15)3-5-12/h2-5,10H,6-9H2,1H3.
What are the key properties of 2-[(4-fluorophenoxy)methyl]-5-(1-methylpyrrolidin-3-yl)-1,3,4-oxadiazole?
2-[(4-fluorophenoxy)methyl]-5-(1-methylpyrrolidin-3-yl)-1,3,4-oxadiazole has a molecular weight of 277.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-5-(1-methylpyrrolidin-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 75615590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).