3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide

C23H25FN4O3 — CID 9266827

IUPAC3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
SMILESO=C(CCc1nc(-c2ccc(F)cc2)no1)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C23H25FN4O3/c24-20-7-5-17(6-8-20)23-26-22(31-27-23)10-9-21(29)25-15-18-3-1-2-4-19(18)16-28-11-13-30-14-12-28/h1-8H,9-16H2,(H,25,29)
InChIKeyIYSSVHYBBZEVLF-UHFFFAOYSA-N
MW424.48 g/mol
LogP2.96
Rot. Bonds8

About 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide (PubChem CID 9266827) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
PubChem CID9266827
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
SMILESO=C(CCc1nc(-c2ccc(F)cc2)no1)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C23H25FN4O3/c24-20-7-5-17(6-8-20)23-26-22(31-27-23)10-9-21(29)25-15-18-3-1-2-4-19(18)16-28-11-13-30-14-12-28/h1-8H,9-16H2,(H,25,29)
InChIKeyIYSSVHYBBZEVLF-UHFFFAOYSA-N
XLogP2.96
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide (CID 9266827) is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide is O=C(CCc1nc(-c2ccc(F)cc2)no1)NCc1ccccc1CN1CCOCC1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is IYSSVHYBBZEVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c24-20-7-5-17(6-8-20)23-26-22(31-27-23)10-9-21(29)25-15-18-3-1-2-4-19(18)16-28-11-13-30-14-12-28/h1-8H,9-16H2,(H,25,29).
What are the key properties of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 424.48 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 9266827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).