(2S)-2-(4-fluorophenyl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine

C17H22FN3O2 — CID 36875201

IUPAC(2S)-2-(4-fluorophenyl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
SMILESCC(C)c1noc([C@@H](C)N2CCO[C@@H](c3ccc(F)cc3)C2)n1
InChIInChI=1S/C17H22FN3O2/c1-11(2)16-19-17(23-20-16)12(3)21-8-9-22-15(10-21)13-4-6-14(18)7-5-13/h4-7,11-12,15H,8-10H2,1-3H3/t12-,15-/m1/s1
InChIKeyWKLGGUZHODEYKK-IUODEOHRSA-N
MW319.38 g/mol
LogP3.47
Rot. Bonds4

About (2S)-2-(4-fluorophenyl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine

(2S)-2-(4-fluorophenyl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine (PubChem CID 36875201) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
PubChem CID36875201
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name(2S)-2-(4-fluorophenyl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
SMILESCC(C)c1noc([C@@H](C)N2CCO[C@@H](c3ccc(F)cc3)C2)n1
InChIInChI=1S/C17H22FN3O2/c1-11(2)16-19-17(23-20-16)12(3)21-8-9-22-15(10-21)13-4-6-14(18)7-5-13/h4-7,11-12,15H,8-10H2,1-3H3/t12-,15-/m1/s1
InChIKeyWKLGGUZHODEYKK-IUODEOHRSA-N
XLogP3.47
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-fluorophenyl)-4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 51671941
(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 129335547
(2S)-2-(4-fluorophenyl)-4-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 98723473
2-(4-chlorophenyl)-4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 47054230
(2R)-2-phenyl-4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 94806550
(2S)-2-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholine
CID 67352997
2-(4-chlorophenyl)-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 47054235
(2R)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 100841752
(6S)-6-(4-fluorophenyl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125127725
N-[(1R)-1-[4-[1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]phenyl]ethyl]methanesulfonamide;hydrochloride
CID 162313172
2-[4-(difluoromethoxy)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 122132885
(2R)-2-(4-fluorophenyl)-4-methylmorpholine
CID 67355003

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine?
The IUPAC name of (2S)-2-(4-fluorophenyl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine (CID 36875201) is (2S)-2-(4-fluorophenyl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine is CC(C)c1noc([C@@H](C)N2CCO[C@@H](c3ccc(F)cc3)C2)n1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine?
The InChIKey is WKLGGUZHODEYKK-IUODEOHRSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-11(2)16-19-17(23-20-16)12(3)21-8-9-22-15(10-21)13-4-6-14(18)7-5-13/h4-7,11-12,15H,8-10H2,1-3H3/t12-,15-/m1/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine?
(2S)-2-(4-fluorophenyl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine has a molecular weight of 319.38 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine is sourced from PubChem (CID 36875201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).