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

C15H23N5O2 — CID 95279213

IUPAC(2S)-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESCC(C)Cc1nc(CN2CCO[C@H](Cn3cccn3)C2)no1
InChIInChI=1S/C15H23N5O2/c1-12(2)8-15-17-14(18-22-15)11-19-6-7-21-13(9-19)10-20-5-3-4-16-20/h3-5,12-13H,6-11H2,1-2H3/t13-/m0/s1
InChIKeyVWFAKDXCPMPJHQ-ZDUSSCGKSA-N
MW305.38 g/mol
LogP1.37
Rot. Bonds6

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

(2S)-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(pyrazol-1-ylmethyl)morpholine (PubChem CID 95279213) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2S)-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(pyrazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(pyrazol-1-ylmethyl)morpholine
PubChem CID95279213
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name(2S)-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESCC(C)Cc1nc(CN2CCO[C@H](Cn3cccn3)C2)no1
InChIInChI=1S/C15H23N5O2/c1-12(2)8-15-17-14(18-22-15)11-19-6-7-21-13(9-19)10-20-5-3-4-16-20/h3-5,12-13H,6-11H2,1-2H3/t13-/m0/s1
InChIKeyVWFAKDXCPMPJHQ-ZDUSSCGKSA-N
XLogP1.37
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The IUPAC name of (2S)-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(pyrazol-1-ylmethyl)morpholine (CID 95279213) is (2S)-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(pyrazol-1-ylmethyl)morpholine.
What is the SMILES notation for (2S)-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The canonical SMILES for (2S)-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(pyrazol-1-ylmethyl)morpholine is CC(C)Cc1nc(CN2CCO[C@H](Cn3cccn3)C2)no1.
What is the InChIKey of (2S)-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The InChIKey is VWFAKDXCPMPJHQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-12(2)8-15-17-14(18-22-15)11-19-6-7-21-13(9-19)10-20-5-3-4-16-20/h3-5,12-13H,6-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(pyrazol-1-ylmethyl)morpholine?
(2S)-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(pyrazol-1-ylmethyl)morpholine has a molecular weight of 305.38 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(pyrazol-1-ylmethyl)morpholine is sourced from PubChem (CID 95279213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).