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

C16H17FN6O2 — CID 95610072

IUPAC(2S)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
SMILESFc1ccc(-c2nnc(CN3CCO[C@H](Cn4cncn4)C3)o2)cc1
InChIInChI=1S/C16H17FN6O2/c17-13-3-1-12(2-4-13)16-21-20-15(25-16)9-22-5-6-24-14(7-22)8-23-11-18-10-19-23/h1-4,10-11,14H,5-9H2/t14-/m0/s1
InChIKeyAXEZZFZKACSEMS-AWEZNQCLSA-N
MW344.35 g/mol
LogP1.37
Rot. Bonds5

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

(2S)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine (PubChem CID 95610072) has the molecular formula C16H17FN6O2 and a molecular weight of 344.35 g/mol. Its IUPAC name is (2S)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
PubChem CID95610072
Molecular FormulaC16H17FN6O2
Molecular Weight344.35 g/mol
Exact Mass344.14
IUPAC Name(2S)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
SMILESFc1ccc(-c2nnc(CN3CCO[C@H](Cn4cncn4)C3)o2)cc1
InChIInChI=1S/C16H17FN6O2/c17-13-3-1-12(2-4-13)16-21-20-15(25-16)9-22-5-6-24-14(7-22)8-23-11-18-10-19-23/h1-4,10-11,14H,5-9H2/t14-/m0/s1
InChIKeyAXEZZFZKACSEMS-AWEZNQCLSA-N
XLogP1.37
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95279128
2-(4-fluorophenyl)-5-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95609789
(2S)-4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95978882
4-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 154748031
(1S)-1-(4-fluorophenyl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 95329376
(2R)-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95350971
(2R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95610123
[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-2-yl]methanamine
CID 114398805
4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 56802768
(2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 95329378
(2S)-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95329746
2-(4-fluorophenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 65447710

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The IUPAC name of (2S)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine (CID 95610072) is (2S)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine.
What is the SMILES notation for (2S)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The canonical SMILES for (2S)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine is Fc1ccc(-c2nnc(CN3CCO[C@H](Cn4cncn4)C3)o2)cc1.
What is the InChIKey of (2S)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The InChIKey is AXEZZFZKACSEMS-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17FN6O2/c17-13-3-1-12(2-4-13)16-21-20-15(25-16)9-22-5-6-24-14(7-22)8-23-11-18-10-19-23/h1-4,10-11,14H,5-9H2/t14-/m0/s1.
What are the key properties of (2S)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
(2S)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine has a molecular weight of 344.35 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine is sourced from PubChem (CID 95610072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).