1-[[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]butan-2-ol

C19H22N4O4 — CID 45215862

IUPAC1-[[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]butan-2-ol
SMILESCCC(O)CNc1ccc(-c2nc(-c3cccc(OC)c3OC)no2)cn1
InChIInChI=1S/C19H22N4O4/c1-4-13(24)11-21-16-9-8-12(10-20-16)19-22-18(23-27-19)14-6-5-7-15(25-2)17(14)26-3/h5-10,13,24H,4,11H2,1-3H3,(H,20,21)
InChIKeyUOQILBCTTZETHI-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.00
Rot. Bonds8

About 1-[[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]butan-2-ol

1-[[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]butan-2-ol (PubChem CID 45215862) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-[[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]butan-2-ol.

Molecular Properties

Compound Name1-[[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]butan-2-ol
PubChem CID45215862
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name1-[[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]butan-2-ol
SMILESCCC(O)CNc1ccc(-c2nc(-c3cccc(OC)c3OC)no2)cn1
InChIInChI=1S/C19H22N4O4/c1-4-13(24)11-21-16-9-8-12(10-20-16)19-22-18(23-27-19)14-6-5-7-15(25-2)17(14)26-3/h5-10,13,24H,4,11H2,1-3H3,(H,20,21)
InChIKeyUOQILBCTTZETHI-UHFFFAOYSA-N
XLogP3.00
TPSA102.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]butan-2-ol with MolForge

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Related Compounds

(2R)-2-[[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 51909704
5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
CID 25279341
[(2S)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol
CID 25454607
(3R)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol
CID 28922082
5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 102429088
[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 86261810
5-(4-chloro-3-nitrophenyl)-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazole
CID 23008260
3-(2,3-dimethoxyphenyl)-5-[3-(4-propan-2-ylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 53022147
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
CID 51901909
2-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 95911504
3-(2,3-dimethoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 8520617
2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
CID 23010460

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]butan-2-ol?
The IUPAC name of 1-[[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]butan-2-ol (CID 45215862) is 1-[[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]butan-2-ol.
What is the SMILES notation for 1-[[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]butan-2-ol?
The canonical SMILES for 1-[[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]butan-2-ol is CCC(O)CNc1ccc(-c2nc(-c3cccc(OC)c3OC)no2)cn1.
What is the InChIKey of 1-[[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]butan-2-ol?
The InChIKey is UOQILBCTTZETHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-4-13(24)11-21-16-9-8-12(10-20-16)19-22-18(23-27-19)14-6-5-7-15(25-2)17(14)26-3/h5-10,13,24H,4,11H2,1-3H3,(H,20,21).
What are the key properties of 1-[[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]butan-2-ol?
1-[[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]butan-2-ol has a molecular weight of 370.41 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]butan-2-ol is sourced from PubChem (CID 45215862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).