4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylmorpholine

C12H21N3O2 — CID 51086657

IUPAC4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylmorpholine
SMILESCC1COCCN1Cc1noc(C(C)(C)C)n1
InChIInChI=1S/C12H21N3O2/c1-9-8-16-6-5-15(9)7-10-13-11(17-14-10)12(2,3)4/h9H,5-8H2,1-4H3
InChIKeyQZZXEZCJMDTNBI-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.59
Rot. Bonds2

About 4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylmorpholine

4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylmorpholine (PubChem CID 51086657) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylmorpholine
PubChem CID51086657
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylmorpholine
SMILESCC1COCCN1Cc1noc(C(C)(C)C)n1
InChIInChI=1S/C12H21N3O2/c1-9-8-16-6-5-15(9)7-10-13-11(17-14-10)12(2,3)4/h9H,5-8H2,1-4H3
InChIKeyQZZXEZCJMDTNBI-UHFFFAOYSA-N
XLogP1.59
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylmorpholine?
The IUPAC name of 4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylmorpholine (CID 51086657) is 4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylmorpholine.
What is the SMILES notation for 4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylmorpholine?
The canonical SMILES for 4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylmorpholine is CC1COCCN1Cc1noc(C(C)(C)C)n1.
What is the InChIKey of 4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylmorpholine?
The InChIKey is QZZXEZCJMDTNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9-8-16-6-5-15(9)7-10-13-11(17-14-10)12(2,3)4/h9H,5-8H2,1-4H3.
What are the key properties of 4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylmorpholine?
4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylmorpholine has a molecular weight of 239.32 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylmorpholine is sourced from PubChem (CID 51086657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).