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

C12H22N4O2 — CID 114398947

IUPAC[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methanamine
SMILESCC(C)(C)c1nnc(CN2CCOC(CN)C2)o1
InChIInChI=1S/C12H22N4O2/c1-12(2,3)11-15-14-10(18-11)8-16-4-5-17-9(6-13)7-16/h9H,4-8,13H2,1-3H3
InChIKeyVBONTIRJMNSEKD-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.53
Rot. Bonds3

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

[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methanamine (PubChem CID 114398947) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is [4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methanamine
PubChem CID114398947
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methanamine
SMILESCC(C)(C)c1nnc(CN2CCOC(CN)C2)o1
InChIInChI=1S/C12H22N4O2/c1-12(2,3)11-15-14-10(18-11)8-16-4-5-17-9(6-13)7-16/h9H,4-8,13H2,1-3H3
InChIKeyVBONTIRJMNSEKD-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-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(difluoromethyl)morpholine
CID 126810423
[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-2-yl]methanamine
CID 114395112
1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpiperidin-4-amine
CID 79867727
[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-2-yl]methanamine
CID 114398805
1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
CID 113281984
2-tert-butyl-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 94114626
1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 103976515
1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63267470
1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63032224
[4-[(1-tert-butyltriazol-4-yl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844444
[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine
CID 114393371
ethyl (3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxylate
CID 81338403

Frequently Asked Questions

What is the IUPAC name of [4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methanamine (CID 114398947) is [4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methanamine is CC(C)(C)c1nnc(CN2CCOC(CN)C2)o1.
What is the InChIKey of [4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methanamine?
The InChIKey is VBONTIRJMNSEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-12(2,3)11-15-14-10(18-11)8-16-4-5-17-9(6-13)7-16/h9H,4-8,13H2,1-3H3.
What are the key properties of [4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methanamine?
[4-[(5-tert-butyl-1,3,4-oxadiazol-2-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-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 114398947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).