5-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-2-ethoxyphenol

C19H21N3O3 — CID 70928046

IUPAC5-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-2-ethoxyphenol
SMILESCCOc1ccc(-c2nc(-c3ccc(CN(C)C)cc3)no2)cc1O
InChIInChI=1S/C19H21N3O3/c1-4-24-17-10-9-15(11-16(17)23)19-20-18(21-25-19)14-7-5-13(6-8-14)12-22(2)3/h5-11,23H,4,12H2,1-3H3
InChIKeyYYYAUBMBFLBQEQ-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.57
Rot. Bonds6

About 5-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-2-ethoxyphenol

5-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-2-ethoxyphenol (PubChem CID 70928046) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-2-ethoxyphenol.

Molecular Properties

Compound Name5-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-2-ethoxyphenol
PubChem CID70928046
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name5-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-2-ethoxyphenol
SMILESCCOc1ccc(-c2nc(-c3ccc(CN(C)C)cc3)no2)cc1O
InChIInChI=1S/C19H21N3O3/c1-4-24-17-10-9-15(11-16(17)23)19-20-18(21-25-19)14-7-5-13(6-8-14)12-22(2)3/h5-11,23H,4,12H2,1-3H3
InChIKeyYYYAUBMBFLBQEQ-UHFFFAOYSA-N
XLogP3.57
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-2-ethoxyphenol?
The IUPAC name of 5-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-2-ethoxyphenol (CID 70928046) is 5-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-2-ethoxyphenol.
What is the SMILES notation for 5-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-2-ethoxyphenol?
The canonical SMILES for 5-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-2-ethoxyphenol is CCOc1ccc(-c2nc(-c3ccc(CN(C)C)cc3)no2)cc1O.
What is the InChIKey of 5-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-2-ethoxyphenol?
The InChIKey is YYYAUBMBFLBQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-4-24-17-10-9-15(11-16(17)23)19-20-18(21-25-19)14-7-5-13(6-8-14)12-22(2)3/h5-11,23H,4,12H2,1-3H3.
What are the key properties of 5-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-2-ethoxyphenol?
5-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-2-ethoxyphenol has a molecular weight of 339.40 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-2-ethoxyphenol is sourced from PubChem (CID 70928046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).