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

C19H18FN3O2 — CID 46956712

IUPAC4-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESFc1ccc(CN2CCOC(c3nc(-c4ccccc4)no3)C2)cc1
InChIInChI=1S/C19H18FN3O2/c20-16-8-6-14(7-9-16)12-23-10-11-24-17(13-23)19-21-18(22-25-19)15-4-2-1-3-5-15/h1-9,17H,10-13H2
InChIKeyUKHVBSQNOOGQIQ-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.45
Rot. Bonds4

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

4-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine (PubChem CID 46956712) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
PubChem CID46956712
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name4-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESFc1ccc(CN2CCOC(c3nc(-c4ccccc4)no3)C2)cc1
InChIInChI=1S/C19H18FN3O2/c20-16-8-6-14(7-9-16)12-23-10-11-24-17(13-23)19-21-18(22-25-19)15-4-2-1-3-5-15/h1-9,17H,10-13H2
InChIKeyUKHVBSQNOOGQIQ-UHFFFAOYSA-N
XLogP3.45
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 92575817
(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-3-ylmethyl)morpholine
CID 92575825
4-[(3-methoxyphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 46956717
2-(4-fluorophenyl)-1-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 142778838
(3R,5S)-1-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 26743556
4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)morpholine
CID 55566054
(2R)-2-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine
CID 120840650
2-[4-[[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenyl]benzoic acid
CID 124976748
5-[(3S)-1-benzylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95849667
1-[5-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120865042
(2S)-4-(3-fluorophenyl)sulfonyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 92575837
(2R)-2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 95557093

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine (CID 46956712) is 4-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine is Fc1ccc(CN2CCOC(c3nc(-c4ccccc4)no3)C2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
The InChIKey is UKHVBSQNOOGQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-16-8-6-14(7-9-16)12-23-10-11-24-17(13-23)19-21-18(22-25-19)15-4-2-1-3-5-15/h1-9,17H,10-13H2.
What are the key properties of 4-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
4-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine has a molecular weight of 339.37 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine is sourced from PubChem (CID 46956712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).