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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Related Compounds

N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 25110275
5-[3-ethoxy-4-(2-(18F)fluoroethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 159007615
[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol
CID 25110365
5-chloro-4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-iodophenol
CID 136509872
3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 42281999
5-(3,4-diethoxyphenyl)-3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol;5-(3,4-diethoxyphenyl)-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 161407567
2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyphenoxy]acetic acid
CID 23010360
[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanamine
CID 143910304
1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N'-ethyl-N-methylmethanediamine
CID 143910298
2-bromo-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104938026
5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867105
2-bromo-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104937985

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).