2,2-dimethyl-1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine

C14H19N3O2 — CID 61323826

IUPAC2,2-dimethyl-1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCC(C)(C)C(N)c1noc(COc2ccccc2)n1
InChIInChI=1S/C14H19N3O2/c1-14(2,3)12(15)13-16-11(19-17-13)9-18-10-7-5-4-6-8-10/h4-8,12H,9,15H2,1-3H3
InChIKeyFFTXKLGLHJTDDG-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.69
Rot. Bonds4

About 2,2-dimethyl-1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine

2,2-dimethyl-1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 61323826) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2,2-dimethyl-1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID61323826
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2,2-dimethyl-1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCC(C)(C)C(N)c1noc(COc2ccccc2)n1
InChIInChI=1S/C14H19N3O2/c1-14(2,3)12(15)13-16-11(19-17-13)9-18-10-7-5-4-6-8-10/h4-8,12H,9,15H2,1-3H3
InChIKeyFFTXKLGLHJTDDG-UHFFFAOYSA-N
XLogP2.69
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 61323826) is 2,2-dimethyl-1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is CC(C)(C)C(N)c1noc(COc2ccccc2)n1.
What is the InChIKey of 2,2-dimethyl-1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is FFTXKLGLHJTDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,3)12(15)13-16-11(19-17-13)9-18-10-7-5-4-6-8-10/h4-8,12H,9,15H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
2,2-dimethyl-1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 261.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 61323826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).