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

C17H19N5O2 — CID 95279128

IUPAC(2S)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESc1ccc(-c2nnc(CN3CCO[C@H](Cn4cccn4)C3)o2)cc1
InChIInChI=1S/C17H19N5O2/c1-2-5-14(6-3-1)17-20-19-16(24-17)13-21-9-10-23-15(11-21)12-22-8-4-7-18-22/h1-8,15H,9-13H2/t15-/m0/s1
InChIKeyWDHMRFKUJMGEAI-HNNXBMFYSA-N
MW325.37 g/mol
LogP1.83
Rot. Bonds5

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

(2S)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine (PubChem CID 95279128) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is (2S)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
PubChem CID95279128
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name(2S)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESc1ccc(-c2nnc(CN3CCO[C@H](Cn4cccn4)C3)o2)cc1
InChIInChI=1S/C17H19N5O2/c1-2-5-14(6-3-1)17-20-19-16(24-17)13-21-9-10-23-15(11-21)12-22-8-4-7-18-22/h1-8,15H,9-13H2/t15-/m0/s1
InChIKeyWDHMRFKUJMGEAI-HNNXBMFYSA-N
XLogP1.83
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The IUPAC name of (2S)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine (CID 95279128) is (2S)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine.
What is the SMILES notation for (2S)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The canonical SMILES for (2S)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine is c1ccc(-c2nnc(CN3CCO[C@H](Cn4cccn4)C3)o2)cc1.
What is the InChIKey of (2S)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The InChIKey is WDHMRFKUJMGEAI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-2-5-14(6-3-1)17-20-19-16(24-17)13-21-9-10-23-15(11-21)12-22-8-4-7-18-22/h1-8,15H,9-13H2/t15-/m0/s1.
What are the key properties of (2S)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
(2S)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine has a molecular weight of 325.37 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine is sourced from PubChem (CID 95279128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).