N-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine

C13H26N4O — CID 55243449

IUPACN-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCN(CC)CCc1noc(CNC(C)(C)C)n1
InChIInChI=1S/C13H26N4O/c1-6-17(7-2)9-8-11-15-12(18-16-11)10-14-13(3,4)5/h14H,6-10H2,1-5H3
InChIKeyABFBBBPNBHOJMR-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.84
Rot. Bonds7

About N-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 55243449) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID55243449
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCN(CC)CCc1noc(CNC(C)(C)C)n1
InChIInChI=1S/C13H26N4O/c1-6-17(7-2)9-8-11-15-12(18-16-11)10-14-13(3,4)5/h14H,6-10H2,1-5H3
InChIKeyABFBBBPNBHOJMR-UHFFFAOYSA-N
XLogP1.84
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[(cyclopropylmethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N,N-diethylethanamine
CID 43655469
2-methyl-N-[[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 65134879
4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191511
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 59777410
5-[(tert-butylamino)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 115741669
N,N-diethyl-2-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62216530
2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79799121
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60722213
1-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine
CID 65243264
2-methyl-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66401056
N-[[2-[2-(diethylamino)ethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 63109005
3-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carbonitrile
CID 106523603

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 55243449) is N-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine is CCN(CC)CCc1noc(CNC(C)(C)C)n1.
What is the InChIKey of N-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is ABFBBBPNBHOJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-6-17(7-2)9-8-11-15-12(18-16-11)10-14-13(3,4)5/h14H,6-10H2,1-5H3.
What are the key properties of N-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 254.38 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55243449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).