4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one

C21H22FN3O4 — CID 71878861

IUPAC4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ccccc2)n1CC(O)CN1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C21H22FN3O4/c22-17-8-6-15(7-9-17)19-14-24(10-11-28-19)12-18(26)13-25-20(23-29-21(25)27)16-4-2-1-3-5-16/h1-9,18-19,26H,10-14H2
InChIKeyUHAXHMDIPUCLCE-UHFFFAOYSA-N
MW399.42 g/mol
LogP2.08
Rot. Bonds6

About 4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one

4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one (PubChem CID 71878861) has the molecular formula C21H22FN3O4 and a molecular weight of 399.42 g/mol. Its IUPAC name is 4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
PubChem CID71878861
Molecular FormulaC21H22FN3O4
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC Name4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ccccc2)n1CC(O)CN1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C21H22FN3O4/c22-17-8-6-15(7-9-17)19-14-24(10-11-28-19)12-18(26)13-25-20(23-29-21(25)27)16-4-2-1-3-5-16/h1-9,18-19,26H,10-14H2
InChIKeyUHAXHMDIPUCLCE-UHFFFAOYSA-N
XLogP2.08
TPSA80.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-hydroxy-3-(2-methylmorpholin-4-yl)propyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 111104453
4-[(2S)-2-hydroxy-3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 95149826
4-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 86903781
4-[3-(2,2-dimethylthiomorpholin-4-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 111930101
4-[3-(3,5-dimethylmorpholin-4-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 111452484
2-(4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine
CID 126771666
2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]phenol
CID 154795509
4-[2-hydroxy-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 86903919
2-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]isoindole-1,3-dione
CID 36737030
(2R)-2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 95557093
4-[3-(4,5-dimethylimidazol-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 111123300
1-[2-(4-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol
CID 138960645

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one (CID 71878861) is 4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one is O=c1onc(-c2ccccc2)n1CC(O)CN1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one?
The InChIKey is UHAXHMDIPUCLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O4/c22-17-8-6-15(7-9-17)19-14-24(10-11-28-19)12-18(26)13-25-20(23-29-21(25)27)16-4-2-1-3-5-16/h1-9,18-19,26H,10-14H2.
What are the key properties of 4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one?
4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one has a molecular weight of 399.42 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 71878861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).