3-(2,4-dimethoxyphenyl)-5-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole

C13H16N2O4 — CID 95333703

IUPAC3-(2,4-dimethoxyphenyl)-5-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc([C@H](C)OC)n2)c(OC)c1
InChIInChI=1S/C13H16N2O4/c1-8(16-2)13-14-12(15-19-13)10-6-5-9(17-3)7-11(10)18-4/h5-8H,1-4H3/t8-/m0/s1
InChIKeySZEYKTJOZCGCAE-QMMMGPOBSA-N
MW264.28 g/mol
LogP2.46
Rot. Bonds5

About 3-(2,4-dimethoxyphenyl)-5-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole

3-(2,4-dimethoxyphenyl)-5-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole (PubChem CID 95333703) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-5-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-5-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole
PubChem CID95333703
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name3-(2,4-dimethoxyphenyl)-5-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc([C@H](C)OC)n2)c(OC)c1
InChIInChI=1S/C13H16N2O4/c1-8(16-2)13-14-12(15-19-13)10-6-5-9(17-3)7-11(10)18-4/h5-8H,1-4H3/t8-/m0/s1
InChIKeySZEYKTJOZCGCAE-QMMMGPOBSA-N
XLogP2.46
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,4-dimethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527886
5-but-2-en-2-yl-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 91941431
3-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 106789680
3-(3,4-dimethoxyphenyl)-5-[(1S)-1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole
CID 2203125
3-(2,4-dimethoxyphenyl)-5-(2-pyrazol-1-ylpropyl)-1,2,4-oxadiazole
CID 138000258
3-(2,4-dimethoxyphenyl)-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 9355901
3-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
CID 106793379
2-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-1-amine
CID 106789676
(1S,2S)-1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 106789684
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpropan-1-amine
CID 78822364
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 51202784
5-(1-bromopropyl)-3-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazole
CID 106818575

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-5-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-5-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole (CID 95333703) is 3-(2,4-dimethoxyphenyl)-5-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-5-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-5-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole is COc1ccc(-c2noc([C@H](C)OC)n2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-5-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole?
The InChIKey is SZEYKTJOZCGCAE-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8(16-2)13-14-12(15-19-13)10-6-5-9(17-3)7-11(10)18-4/h5-8H,1-4H3/t8-/m0/s1.
What are the key properties of 3-(2,4-dimethoxyphenyl)-5-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole?
3-(2,4-dimethoxyphenyl)-5-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole has a molecular weight of 264.28 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-5-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95333703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).