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

C12H22N4O2 — CID 114395112

IUPAC[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-2-yl]methanamine
SMILESCC(C)(C)c1noc(CN2CCOC(CN)C2)n1
InChIInChI=1S/C12H22N4O2/c1-12(2,3)11-14-10(18-15-11)8-16-4-5-17-9(6-13)7-16/h9H,4-8,13H2,1-3H3
InChIKeyPUKIDIDPBJYZLS-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.53
Rot. Bonds3

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

[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-2-yl]methanamine (PubChem CID 114395112) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is [4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-2-yl]methanamine
PubChem CID114395112
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-2-yl]methanamine
SMILESCC(C)(C)c1noc(CN2CCOC(CN)C2)n1
InChIInChI=1S/C12H22N4O2/c1-12(2,3)11-14-10(18-15-11)8-16-4-5-17-9(6-13)7-16/h9H,4-8,13H2,1-3H3
InChIKeyPUKIDIDPBJYZLS-UHFFFAOYSA-N
XLogP0.53
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 20785846
[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methanamine
CID 114398947
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
CID 65250262
methyl 4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-2-carboxylate
CID 78926318
(2S)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-fluorophenyl)morpholine
CID 36875134
(3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine
CID 102977355
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpyrrolidin-3-amine
CID 103576788
1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanol
CID 112628218
3-tert-butyl-5-[[2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole
CID 166211940
2-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 54857179
2-[(2S)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]ethanamine
CID 125436186
3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79737485

Frequently Asked Questions

What is the IUPAC name of [4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-2-yl]methanamine (CID 114395112) is [4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-2-yl]methanamine is CC(C)(C)c1noc(CN2CCOC(CN)C2)n1.
What is the InChIKey of [4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-2-yl]methanamine?
The InChIKey is PUKIDIDPBJYZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-12(2,3)11-14-10(18-15-11)8-16-4-5-17-9(6-13)7-16/h9H,4-8,13H2,1-3H3.
What are the key properties of [4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-2-yl]methanamine?
[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-2-yl]methanamine has a molecular weight of 254.33 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 114395112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).