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

C15H23N5O2 — CID 95279219

IUPAC(2S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESCCCCc1nc(CN2CCO[C@H](Cn3cccn3)C2)no1
InChIInChI=1S/C15H23N5O2/c1-2-3-5-15-17-14(18-22-15)12-19-8-9-21-13(10-19)11-20-7-4-6-16-20/h4,6-7,13H,2-3,5,8-12H2,1H3/t13-/m0/s1
InChIKeyPNYSLKJCZJROKF-ZDUSSCGKSA-N
MW305.38 g/mol
LogP1.51
Rot. Bonds7

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

(2S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine (PubChem CID 95279219) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
PubChem CID95279219
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name(2S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESCCCCc1nc(CN2CCO[C@H](Cn3cccn3)C2)no1
InChIInChI=1S/C15H23N5O2/c1-2-3-5-15-17-14(18-22-15)12-19-8-9-21-13(10-19)11-20-7-4-6-16-20/h4,6-7,13H,2-3,5,8-12H2,1H3/t13-/m0/s1
InChIKeyPNYSLKJCZJROKF-ZDUSSCGKSA-N
XLogP1.51
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The IUPAC name of (2S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine (CID 95279219) is (2S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine.
What is the SMILES notation for (2S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The canonical SMILES for (2S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine is CCCCc1nc(CN2CCO[C@H](Cn3cccn3)C2)no1.
What is the InChIKey of (2S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The InChIKey is PNYSLKJCZJROKF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-2-3-5-15-17-14(18-22-15)12-19-8-9-21-13(10-19)11-20-7-4-6-16-20/h4,6-7,13H,2-3,5,8-12H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
(2S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine has a molecular weight of 305.38 g/mol, XLogP of 1.51, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine is sourced from PubChem (CID 95279219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).