1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine

C15H21N3O — CID 62163381

IUPAC1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
SMILESCNC(c1ccccc1)c1nnc(CC(C)(C)C)o1
InChIInChI=1S/C15H21N3O/c1-15(2,3)10-12-17-18-14(19-12)13(16-4)11-8-6-5-7-9-11/h5-9,13,16H,10H2,1-4H3
InChIKeyCDXDGLSYOSBWFA-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.97
Rot. Bonds4

About 1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine

1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine (PubChem CID 62163381) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound Name1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
PubChem CID62163381
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
SMILESCNC(c1ccccc1)c1nnc(CC(C)(C)C)o1
InChIInChI=1S/C15H21N3O/c1-15(2,3)10-12-17-18-14(19-12)13(16-4)11-8-6-5-7-9-11/h5-9,13,16H,10H2,1-4H3
InChIKeyCDXDGLSYOSBWFA-UHFFFAOYSA-N
XLogP2.97
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine?
The IUPAC name of 1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine (CID 62163381) is 1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine.
What is the SMILES notation for 1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine?
The canonical SMILES for 1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine is CNC(c1ccccc1)c1nnc(CC(C)(C)C)o1.
What is the InChIKey of 1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine?
The InChIKey is CDXDGLSYOSBWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(2,3)10-12-17-18-14(19-12)13(16-4)11-8-6-5-7-9-11/h5-9,13,16H,10H2,1-4H3.
What are the key properties of 1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine?
1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 62163381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).