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

C14H20N4O — CID 43559614

IUPAC4-[amino-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline
SMILESCC(C)c1nc(C(N)c2ccc(N(C)C)cc2)no1
InChIInChI=1S/C14H20N4O/c1-9(2)14-16-13(17-19-14)12(15)10-5-7-11(8-6-10)18(3)4/h5-9,12H,15H2,1-4H3
InChIKeyFFNHBLMMBDBQFW-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.31
Rot. Bonds4

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

4-[amino-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline (PubChem CID 43559614) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[amino-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[amino-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline
PubChem CID43559614
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-[amino-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline
SMILESCC(C)c1nc(C(N)c2ccc(N(C)C)cc2)no1
InChIInChI=1S/C14H20N4O/c1-9(2)14-16-13(17-19-14)12(15)10-5-7-11(8-6-10)18(3)4/h5-9,12H,15H2,1-4H3
InChIKeyFFNHBLMMBDBQFW-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[amino-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[amino-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline (CID 43559614) is 4-[amino-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[amino-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[amino-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline is CC(C)c1nc(C(N)c2ccc(N(C)C)cc2)no1.
What is the InChIKey of 4-[amino-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline?
The InChIKey is FFNHBLMMBDBQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9(2)14-16-13(17-19-14)12(15)10-5-7-11(8-6-10)18(3)4/h5-9,12H,15H2,1-4H3.
What are the key properties of 4-[amino-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline?
4-[amino-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline has a molecular weight of 260.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 43559614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).