N-[1-[5-(2-methylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine

C12H22N4O2 — CID 106967744

IUPACN-[1-[5-(2-methylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(N2CCOC(C)C2)o1
InChIInChI=1S/C12H22N4O2/c1-4-5-13-10(3)11-14-15-12(18-11)16-6-7-17-9(2)8-16/h9-10,13H,4-8H2,1-3H3
InChIKeyQMPZJYNZVNJFRZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.36
Rot. Bonds5

About N-[1-[5-(2-methylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine

N-[1-[5-(2-methylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (PubChem CID 106967744) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[1-[5-(2-methylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(2-methylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
PubChem CID106967744
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN-[1-[5-(2-methylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(N2CCOC(C)C2)o1
InChIInChI=1S/C12H22N4O2/c1-4-5-13-10(3)11-14-15-12(18-11)16-6-7-17-9(2)8-16/h9-10,13H,4-8H2,1-3H3
InChIKeyQMPZJYNZVNJFRZ-UHFFFAOYSA-N
XLogP1.36
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[5-(3-propylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 106964294
N-[1-[5-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 106962292
N-[1-[5-(4-propan-2-ylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 106962236
N-[1-[5-(4,4-dimethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 106961747
1-[5-(3,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 106965329
2-[4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanol
CID 106966016
3-methyl-1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol
CID 106965217
N-[[5-(2-methyl-1,4-oxazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106961117
1-[5-(2-ethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106969179
1-[5-(3-tert-butylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 106964319
[4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]morpholin-3-yl]methanol
CID 106965567
6-methyl-1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 106970093

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(2-methylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(2-methylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (CID 106967744) is N-[1-[5-(2-methylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(2-methylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(2-methylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1nnc(N2CCOC(C)C2)o1.
What is the InChIKey of N-[1-[5-(2-methylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The InChIKey is QMPZJYNZVNJFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-4-5-13-10(3)11-14-15-12(18-11)16-6-7-17-9(2)8-16/h9-10,13H,4-8H2,1-3H3.
What are the key properties of N-[1-[5-(2-methylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
N-[1-[5-(2-methylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine has a molecular weight of 254.33 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(2-methylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 106967744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).