(2R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine

C14H22N6O2 — CID 95346647

IUPAC(2R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
SMILESCC(C)(C)c1nc(CN2CCO[C@@H](Cn3cncn3)C2)no1
InChIInChI=1S/C14H22N6O2/c1-14(2,3)13-17-12(18-22-13)8-19-4-5-21-11(6-19)7-20-10-15-9-16-20/h9-11H,4-8H2,1-3H3/t11-/m1/s1
InChIKeyFAFYDLFZXSSHBM-LLVKDONJSA-N
MW306.37 g/mol
LogP0.86
Rot. Bonds4

About (2R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine

(2R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine (PubChem CID 95346647) has the molecular formula C14H22N6O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (2R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name(2R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
PubChem CID95346647
Molecular FormulaC14H22N6O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC Name(2R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
SMILESCC(C)(C)c1nc(CN2CCO[C@@H](Cn3cncn3)C2)no1
InChIInChI=1S/C14H22N6O2/c1-14(2,3)13-17-12(18-22-13)8-19-4-5-21-11(6-19)7-20-10-15-9-16-20/h9-11H,4-8H2,1-3H3/t11-/m1/s1
InChIKeyFAFYDLFZXSSHBM-LLVKDONJSA-N
XLogP0.86
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

(2S)-4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95978882
4-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 75369872
(2R)-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95350971
2-phenyl-1-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 56780681
(2S)-2-phenyl-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 95610148
4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 56802768
(2S)-4-(3-methylbut-2-enyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95978876
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 95610094
(2R)-4-(1,3-benzothiazol-2-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95978871
(2S)-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95329746
(2R)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95352014
(2R)-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95350905

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The IUPAC name of (2R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine (CID 95346647) is (2R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine.
What is the SMILES notation for (2R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The canonical SMILES for (2R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine is CC(C)(C)c1nc(CN2CCO[C@@H](Cn3cncn3)C2)no1.
What is the InChIKey of (2R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The InChIKey is FAFYDLFZXSSHBM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N6O2/c1-14(2,3)13-17-12(18-22-13)8-19-4-5-21-11(6-19)7-20-10-15-9-16-20/h9-11H,4-8H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
(2R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine has a molecular weight of 306.37 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine is sourced from PubChem (CID 95346647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).