4-[5-[5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine

C22H24FN5O2 — CID 75131201

IUPAC4-[5-[5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
SMILESFc1ccccc1CN1CCCC1c1nc(-c2ccc(N3CCOCC3)nc2)no1
InChIInChI=1S/C22H24FN5O2/c23-18-5-2-1-4-17(18)15-28-9-3-6-19(28)22-25-21(26-30-22)16-7-8-20(24-14-16)27-10-12-29-13-11-27/h1-2,4-5,7-8,14,19H,3,6,9-13,15H2
InChIKeyCURKTWFDWXGVDX-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.44
Rot. Bonds5

About 4-[5-[5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine

4-[5-[5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine (PubChem CID 75131201) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 4-[5-[5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
PubChem CID75131201
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name4-[5-[5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
SMILESFc1ccccc1CN1CCCC1c1nc(-c2ccc(N3CCOCC3)nc2)no1
InChIInChI=1S/C22H24FN5O2/c23-18-5-2-1-4-17(18)15-28-9-3-6-19(28)22-25-21(26-30-22)16-7-8-20(24-14-16)27-10-12-29-13-11-27/h1-2,4-5,7-8,14,19H,3,6,9-13,15H2
InChIKeyCURKTWFDWXGVDX-UHFFFAOYSA-N
XLogP3.44
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-[5-[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
CID 75131199
5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 75131384
4-[5-[5-[1-(3-phenylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
CID 75131204
N-[5-[5-[(2R)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2-methoxyacetamide
CID 162799175
5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 75614854
3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 75614858
4-[4-[5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
CID 75130983
3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 75614864
5-[5-[1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-2-amine
CID 75131501
4-[5-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
CID 53162753
N-[(2-fluorophenyl)methyl]-2-[(2R)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide
CID 95121139
4-[5-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
CID 53162754

Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine (CID 75131201) is 4-[5-[5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine is Fc1ccccc1CN1CCCC1c1nc(-c2ccc(N3CCOCC3)nc2)no1.
What is the InChIKey of 4-[5-[5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine?
The InChIKey is CURKTWFDWXGVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c23-18-5-2-1-4-17(18)15-28-9-3-6-19(28)22-25-21(26-30-22)16-7-8-20(24-14-16)27-10-12-29-13-11-27/h1-2,4-5,7-8,14,19H,3,6,9-13,15H2.
What are the key properties of 4-[5-[5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine?
4-[5-[5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine has a molecular weight of 409.47 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 75131201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).