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

C13H21N3O4 — CID 78926318

IUPACmethyl 4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(Cc2nc(C(C)(C)C)no2)CCO1
InChIInChI=1S/C13H21N3O4/c1-13(2,3)12-14-10(20-15-12)8-16-5-6-19-9(7-16)11(17)18-4/h9H,5-8H2,1-4H3
InChIKeyNDBVHQCJUUDJNU-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.74
Rot. Bonds3

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

methyl 4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-2-carboxylate (PubChem CID 78926318) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is methyl 4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-2-carboxylate
PubChem CID78926318
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Namemethyl 4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(Cc2nc(C(C)(C)C)no2)CCO1
InChIInChI=1S/C13H21N3O4/c1-13(2,3)12-14-10(20-15-12)8-16-5-6-19-9(7-16)11(17)18-4/h9H,5-8H2,1-4H3
InChIKeyNDBVHQCJUUDJNU-UHFFFAOYSA-N
XLogP0.74
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl (3S)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 79037760
methyl 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-2-carboxylate
CID 78925869
[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-2-yl]methanamine
CID 114395112
4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 20785846
azepan-1-yl-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 56825800
methyl 4-ethylmorpholine-2-carboxylate
CID 78926280
(2S)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-fluorophenyl)morpholine
CID 36875134
2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]propanoic acid
CID 116684185
2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetic acid
CID 79608202
methyl 4-[(3,4-dichlorophenyl)methyl]morpholine-2-carboxylate
CID 78926417
methyl 4-[2-(tert-butylamino)-2-oxoethyl]morpholine-2-carboxylate
CID 78926407
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
CID 65250262

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-2-carboxylate (CID 78926318) is methyl 4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-2-carboxylate is COC(=O)C1CN(Cc2nc(C(C)(C)C)no2)CCO1.
What is the InChIKey of methyl 4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-2-carboxylate?
The InChIKey is NDBVHQCJUUDJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-13(2,3)12-14-10(20-15-12)8-16-5-6-19-9(7-16)11(17)18-4/h9H,5-8H2,1-4H3.
What are the key properties of methyl 4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-2-carboxylate?
methyl 4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-2-carboxylate has a molecular weight of 283.33 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-2-carboxylate is sourced from PubChem (CID 78926318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).