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

C18H21N5O2 — CID 95281618

IUPAC(2S)-4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESc1ccc(Cc2nnc(CN3CCO[C@H](Cn4cccn4)C3)o2)cc1
InChIInChI=1S/C18H21N5O2/c1-2-5-15(6-3-1)11-17-20-21-18(25-17)14-22-9-10-24-16(12-22)13-23-8-4-7-19-23/h1-8,16H,9-14H2/t16-/m0/s1
InChIKeyXHIGIUCOLKYUQY-INIZCTEOSA-N
MW339.40 g/mol
LogP1.76
Rot. Bonds6

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

(2S)-4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine (PubChem CID 95281618) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is (2S)-4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
PubChem CID95281618
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name(2S)-4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESc1ccc(Cc2nnc(CN3CCO[C@H](Cn4cccn4)C3)o2)cc1
InChIInChI=1S/C18H21N5O2/c1-2-5-15(6-3-1)11-17-20-21-18(25-17)14-22-9-10-24-16(12-22)13-23-8-4-7-19-23/h1-8,16H,9-14H2/t16-/m0/s1
InChIKeyXHIGIUCOLKYUQY-INIZCTEOSA-N
XLogP1.76
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.76
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
(2R)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95277664
2-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-benzoxazole
CID 95279147
(2R)-4-[(1-phenyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95280498
3-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzamide
CID 95299116
4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile
CID 95277532
(2S)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95277519
2-benzyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95331994
(2R)-4-[(5-chlorothiadiazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95278646
(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
(2R)-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100841955

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The IUPAC name of (2S)-4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine (CID 95281618) is (2S)-4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine.
What is the SMILES notation for (2S)-4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The canonical SMILES for (2S)-4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine is c1ccc(Cc2nnc(CN3CCO[C@H](Cn4cccn4)C3)o2)cc1.
What is the InChIKey of (2S)-4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The InChIKey is XHIGIUCOLKYUQY-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-2-5-15(6-3-1)11-17-20-21-18(25-17)14-22-9-10-24-16(12-22)13-23-8-4-7-19-23/h1-8,16H,9-14H2/t16-/m0/s1.
What are the key properties of (2S)-4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
(2S)-4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine has a molecular weight of 339.40 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine is sourced from PubChem (CID 95281618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).