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

C17H22FN3O2 — CID 36875134

IUPAC(2S)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-fluorophenyl)morpholine
SMILESCC(C)(C)c1noc(CN2CCO[C@@H](c3ccc(F)cc3)C2)n1
InChIInChI=1S/C17H22FN3O2/c1-17(2,3)16-19-15(23-20-16)11-21-8-9-22-14(10-21)12-4-6-13(18)7-5-12/h4-7,14H,8-11H2,1-3H3/t14-/m1/s1
InChIKeyWGVBXLNUQBDWNL-CQSZACIVSA-N
MW319.38 g/mol
LogP3.08
Rot. Bonds3

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

(2S)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-fluorophenyl)morpholine (PubChem CID 36875134) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is (2S)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-fluorophenyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-fluorophenyl)morpholine
PubChem CID36875134
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name(2S)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-fluorophenyl)morpholine
SMILESCC(C)(C)c1noc(CN2CCO[C@@H](c3ccc(F)cc3)C2)n1
InChIInChI=1S/C17H22FN3O2/c1-17(2,3)16-19-15(23-20-16)11-21-8-9-22-14(10-21)12-4-6-13(18)7-5-12/h4-7,14H,8-11H2,1-3H3/t14-/m1/s1
InChIKeyWGVBXLNUQBDWNL-CQSZACIVSA-N
XLogP3.08
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(4-fluorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 36874411
4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)morpholine
CID 55566054
[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-2-yl]methanamine
CID 114395112
4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 20785846
(2R,6R)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-6-phenylmorpholine
CID 100841460
methyl 4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-2-carboxylate
CID 78926318
2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]phenol
CID 154795509
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
CID 65250262
(2R)-4-tert-butyl-2-(4-fluorophenyl)morpholine
CID 67354572
(2S)-4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmorpholine
CID 95323433
(3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine
CID 102977355
5-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898617

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-fluorophenyl)morpholine?
The IUPAC name of (2S)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-fluorophenyl)morpholine (CID 36875134) is (2S)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-fluorophenyl)morpholine.
What is the SMILES notation for (2S)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-fluorophenyl)morpholine?
The canonical SMILES for (2S)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-fluorophenyl)morpholine is CC(C)(C)c1noc(CN2CCO[C@@H](c3ccc(F)cc3)C2)n1.
What is the InChIKey of (2S)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-fluorophenyl)morpholine?
The InChIKey is WGVBXLNUQBDWNL-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-17(2,3)16-19-15(23-20-16)11-21-8-9-22-14(10-21)12-4-6-13(18)7-5-12/h4-7,14H,8-11H2,1-3H3/t14-/m1/s1.
What are the key properties of (2S)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-fluorophenyl)morpholine?
(2S)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-fluorophenyl)morpholine has a molecular weight of 319.38 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-fluorophenyl)morpholine is sourced from PubChem (CID 36875134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).