3-[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine

C11H21N3O2 — CID 103022424

IUPAC3-[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1nnc(CC(C)(C)OC)o1
InChIInChI=1S/C11H21N3O2/c1-11(2,15-4)8-10-14-13-9(16-10)6-5-7-12-3/h12H,5-8H2,1-4H3
InChIKeyQLBWGTRGQSBCTF-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.19
Rot. Bonds7

About 3-[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine

3-[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine (PubChem CID 103022424) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
PubChem CID103022424
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name3-[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1nnc(CC(C)(C)OC)o1
InChIInChI=1S/C11H21N3O2/c1-11(2,15-4)8-10-14-13-9(16-10)6-5-7-12-3/h12H,5-8H2,1-4H3
InChIKeyQLBWGTRGQSBCTF-UHFFFAOYSA-N
XLogP1.19
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 103022416
N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 62139451
3-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 62138165
N-methyl-3-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62136889
2-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine
CID 62162723
3-[5-[(3-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62136727
3-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 103022428
N-methyl-3-[5-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 83136979
N-ethyl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62137800
3-[5-(methoxymethyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 65186999
N-methyl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 65152298
N-[3-[5-(2-methoxy-2-methylpropyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 103022713

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine (CID 103022424) is 3-[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine is CNCCCc1nnc(CC(C)(C)OC)o1.
What is the InChIKey of 3-[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
The InChIKey is QLBWGTRGQSBCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-11(2,15-4)8-10-14-13-9(16-10)6-5-7-12-3/h12H,5-8H2,1-4H3.
What are the key properties of 3-[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
3-[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine has a molecular weight of 227.31 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 103022424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).