3-[3-(1-amino-2-propan-2-yloxyethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline

C15H22N4O2 — CID 104634668

IUPAC3-[3-(1-amino-2-propan-2-yloxyethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
SMILESCC(C)OCC(N)c1noc(-c2cccc(N(C)C)c2)n1
InChIInChI=1S/C15H22N4O2/c1-10(2)20-9-13(16)14-17-15(21-18-14)11-6-5-7-12(8-11)19(3)4/h5-8,10,13H,9,16H2,1-4H3
InChIKeyFPHCGFURMJSHAZ-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.23
Rot. Bonds6

About 3-[3-(1-amino-2-propan-2-yloxyethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline

3-[3-(1-amino-2-propan-2-yloxyethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline (PubChem CID 104634668) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-[3-(1-amino-2-propan-2-yloxyethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[3-(1-amino-2-propan-2-yloxyethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
PubChem CID104634668
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-[3-(1-amino-2-propan-2-yloxyethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
SMILESCC(C)OCC(N)c1noc(-c2cccc(N(C)C)c2)n1
InChIInChI=1S/C15H22N4O2/c1-10(2)20-9-13(16)14-17-15(21-18-14)11-6-5-7-12(8-11)19(3)4/h5-8,10,13H,9,16H2,1-4H3
InChIKeyFPHCGFURMJSHAZ-UHFFFAOYSA-N
XLogP2.23
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634751
3-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
CID 61324207
1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634511
1-[5-(4-chloro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634547
3-[3-(2-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
CID 55101558
1-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634516
1-[5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634804
1-[5-(2-chloro-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634810
5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-amine;hydrochloride
CID 76848385
1-[5-(5-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634800
1-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634608
1-[5-(3-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 107940732

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-amino-2-propan-2-yloxyethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline?
The IUPAC name of 3-[3-(1-amino-2-propan-2-yloxyethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline (CID 104634668) is 3-[3-(1-amino-2-propan-2-yloxyethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[3-(1-amino-2-propan-2-yloxyethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline?
The canonical SMILES for 3-[3-(1-amino-2-propan-2-yloxyethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline is CC(C)OCC(N)c1noc(-c2cccc(N(C)C)c2)n1.
What is the InChIKey of 3-[3-(1-amino-2-propan-2-yloxyethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline?
The InChIKey is FPHCGFURMJSHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10(2)20-9-13(16)14-17-15(21-18-14)11-6-5-7-12(8-11)19(3)4/h5-8,10,13H,9,16H2,1-4H3.
What are the key properties of 3-[3-(1-amino-2-propan-2-yloxyethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline?
3-[3-(1-amino-2-propan-2-yloxyethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline has a molecular weight of 290.37 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-amino-2-propan-2-yloxyethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline is sourced from PubChem (CID 104634668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).