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

C14H20N4O — CID 61324207

IUPAC3-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
SMILESCC(C)C(N)c1noc(-c2cccc(N(C)C)c2)n1
InChIInChI=1S/C14H20N4O/c1-9(2)12(15)13-16-14(19-17-13)10-6-5-7-11(8-10)18(3)4/h5-9,12H,15H2,1-4H3
InChIKeyQVGGJMMKMFWFKA-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.46
Rot. Bonds4

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

3-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline (PubChem CID 61324207) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
PubChem CID61324207
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
SMILESCC(C)C(N)c1noc(-c2cccc(N(C)C)c2)n1
InChIInChI=1S/C14H20N4O/c1-9(2)12(15)13-16-14(19-17-13)10-6-5-7-11(8-10)18(3)4/h5-9,12H,15H2,1-4H3
InChIKeyQVGGJMMKMFWFKA-UHFFFAOYSA-N
XLogP2.46
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline?
The IUPAC name of 3-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline (CID 61324207) is 3-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline?
The canonical SMILES for 3-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline is CC(C)C(N)c1noc(-c2cccc(N(C)C)c2)n1.
What is the InChIKey of 3-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline?
The InChIKey is QVGGJMMKMFWFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9(2)12(15)13-16-14(19-17-13)10-6-5-7-11(8-10)18(3)4/h5-9,12H,15H2,1-4H3.
What are the key properties of 3-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline?
3-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline has a molecular weight of 260.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline is sourced from PubChem (CID 61324207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).