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

C12H22N4O2 — CID 106474625

IUPAC3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
SMILESCNC1CCOCC1c1nc(CCN(C)C)no1
InChIInChI=1S/C12H22N4O2/c1-13-10-5-7-17-8-9(10)12-14-11(15-18-12)4-6-16(2)3/h9-10,13H,4-8H2,1-3H3
InChIKeyQZKXVVBMIJYJAK-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.27
Rot. Bonds5

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

3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine (PubChem CID 106474625) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine.

Molecular Properties

Compound Name3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
PubChem CID106474625
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
SMILESCNC1CCOCC1c1nc(CCN(C)C)no1
InChIInChI=1S/C12H22N4O2/c1-13-10-5-7-17-8-9(10)12-14-11(15-18-12)4-6-16(2)3/h9-10,13H,4-8H2,1-3H3
InChIKeyQZKXVVBMIJYJAK-UHFFFAOYSA-N
XLogP0.27
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 ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-5-[4-(methylamino)oxan-3-yl]-1,2,4-oxadiazol-3-amine
CID 106474742
3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
CID 106474530
4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 115345329
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 79085090
N-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474441
2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcycloheptan-1-amine
CID 115347333
N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 106474300
N-methyl-4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66237436
3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
CID 106474680
N-methyl-2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 55203203
N-methyl-3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474581
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
CID 106474380

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine?
The IUPAC name of 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine (CID 106474625) is 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine.
What is the SMILES notation for 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine?
The canonical SMILES for 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine is CNC1CCOCC1c1nc(CCN(C)C)no1.
What is the InChIKey of 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine?
The InChIKey is QZKXVVBMIJYJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-13-10-5-7-17-8-9(10)12-14-11(15-18-12)4-6-16(2)3/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine?
3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine has a molecular weight of 254.33 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine is sourced from PubChem (CID 106474625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).