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

C17H22FN3O2 — CID 51671941

IUPAC(2R)-2-(4-fluorophenyl)-4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
SMILESCCCc1noc([C@H](C)N2CCO[C@H](c3ccc(F)cc3)C2)n1
InChIInChI=1S/C17H22FN3O2/c1-3-4-16-19-17(23-20-16)12(2)21-9-10-22-15(11-21)13-5-7-14(18)8-6-13/h5-8,12,15H,3-4,9-11H2,1-2H3/t12-,15-/m0/s1
InChIKeyFWJQPKPJVFOWAS-WFASDCNBSA-N
MW319.38 g/mol
LogP3.30
Rot. Bonds5

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

(2R)-2-(4-fluorophenyl)-4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine (PubChem CID 51671941) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
PubChem CID51671941
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name(2R)-2-(4-fluorophenyl)-4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
SMILESCCCc1noc([C@H](C)N2CCO[C@H](c3ccc(F)cc3)C2)n1
InChIInChI=1S/C17H22FN3O2/c1-3-4-16-19-17(23-20-16)12(2)21-9-10-22-15(11-21)13-5-7-14(18)8-6-13/h5-8,12,15H,3-4,9-11H2,1-2H3/t12-,15-/m0/s1
InChIKeyFWJQPKPJVFOWAS-WFASDCNBSA-N
XLogP3.30
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(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-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 36875201
2-(4-chlorophenyl)-4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 47054230
(2S)-2-(4-fluorophenyl)-4-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 98723473
5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 51113077
(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
(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
(6S)-6-(4-fluorophenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125127283
(3S)-1-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-ol
CID 94000661
1-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 94000693
5-[(1R)-1-(4-ethylpiperazin-1-yl)ethyl]-3-propyl-1,2,4-oxadiazole
CID 94000629

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine?
The IUPAC name of (2R)-2-(4-fluorophenyl)-4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine (CID 51671941) is (2R)-2-(4-fluorophenyl)-4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine is CCCc1noc([C@H](C)N2CCO[C@H](c3ccc(F)cc3)C2)n1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine?
The InChIKey is FWJQPKPJVFOWAS-WFASDCNBSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-3-4-16-19-17(23-20-16)12(2)21-9-10-22-15(11-21)13-5-7-14(18)8-6-13/h5-8,12,15H,3-4,9-11H2,1-2H3/t12-,15-/m0/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine?
(2R)-2-(4-fluorophenyl)-4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine has a molecular weight of 319.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine is sourced from PubChem (CID 51671941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).