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

C17H19N5O2 — CID 95277519

IUPAC(2S)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESc1ccc(-c2nc(CN3CCO[C@H](Cn4cccn4)C3)no2)cc1
InChIInChI=1S/C17H19N5O2/c1-2-5-14(6-3-1)17-19-16(20-24-17)13-21-9-10-23-15(11-21)12-22-8-4-7-18-22/h1-8,15H,9-13H2/t15-/m0/s1
InChIKeyDVKKQFWWQPSPJZ-HNNXBMFYSA-N
MW325.37 g/mol
LogP1.83
Rot. Bonds5

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

(2S)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine (PubChem CID 95277519) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is (2S)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
PubChem CID95277519
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name(2S)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESc1ccc(-c2nc(CN3CCO[C@H](Cn4cccn4)C3)no2)cc1
InChIInChI=1S/C17H19N5O2/c1-2-5-14(6-3-1)17-19-16(20-24-17)13-21-9-10-23-15(11-21)12-22-8-4-7-18-22/h1-8,15H,9-13H2/t15-/m0/s1
InChIKeyDVKKQFWWQPSPJZ-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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Related Compounds

(2S)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95279128
(2S)-4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95978882
(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol
CID 78963265
2-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-benzoxazole
CID 95279147
(2S)-4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95281618
(2R)-4-[(1-phenyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95280498
(2S)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95283755
(1S)-1-phenyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 100841885
(2R)-4-[(Z)-3-phenylprop-2-enyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 98172915
4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile
CID 95277532
1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 62068171
(2R)-4-[(5-bromothiophen-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95289806

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The IUPAC name of (2S)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine (CID 95277519) is (2S)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine.
What is the SMILES notation for (2S)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The canonical SMILES for (2S)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine is c1ccc(-c2nc(CN3CCO[C@H](Cn4cccn4)C3)no2)cc1.
What is the InChIKey of (2S)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The InChIKey is DVKKQFWWQPSPJZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-2-5-14(6-3-1)17-19-16(20-24-17)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-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
(2S)-4-[(5-phenyl-1,2,4-oxadiazol-3-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-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine is sourced from PubChem (CID 95277519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).