(3S)-6-[3-(3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-3-ol

C20H21N3O3 — CID 164877338

IUPAC(3S)-6-[3-(3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-3-ol
SMILESCc1cc(C)cc(-c2noc(-c3cnc4c(c3)C[C@H](O)C(C)(C)O4)n2)c1
InChIInChI=1S/C20H21N3O3/c1-11-5-12(2)7-13(6-11)17-22-19(26-23-17)15-8-14-9-16(24)20(3,4)25-18(14)21-10-15/h5-8,10,16,24H,9H2,1-4H3/t16-/m0/s1
InChIKeyQAAWGBUNTMBIAC-INIZCTEOSA-N
MW351.41 g/mol
LogP3.49
Rot. Bonds2

About (3S)-6-[3-(3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-3-ol

(3S)-6-[3-(3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-3-ol (PubChem CID 164877338) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is (3S)-6-[3-(3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-3-ol.

Molecular Properties

Compound Name(3S)-6-[3-(3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-3-ol
PubChem CID164877338
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name(3S)-6-[3-(3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-3-ol
SMILESCc1cc(C)cc(-c2noc(-c3cnc4c(c3)C[C@H](O)C(C)(C)O4)n2)c1
InChIInChI=1S/C20H21N3O3/c1-11-5-12(2)7-13(6-11)17-22-19(26-23-17)15-8-14-9-16(24)20(3,4)25-18(14)21-10-15/h5-8,10,16,24H,9H2,1-4H3/t16-/m0/s1
InChIKeyQAAWGBUNTMBIAC-INIZCTEOSA-N
XLogP3.49
TPSA81.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-6-[3-(3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-6-[3-(3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-3-ol?
The IUPAC name of (3S)-6-[3-(3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-3-ol (CID 164877338) is (3S)-6-[3-(3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-3-ol.
What is the SMILES notation for (3S)-6-[3-(3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-3-ol?
The canonical SMILES for (3S)-6-[3-(3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-3-ol is Cc1cc(C)cc(-c2noc(-c3cnc4c(c3)C[C@H](O)C(C)(C)O4)n2)c1.
What is the InChIKey of (3S)-6-[3-(3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-3-ol?
The InChIKey is QAAWGBUNTMBIAC-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-11-5-12(2)7-13(6-11)17-22-19(26-23-17)15-8-14-9-16(24)20(3,4)25-18(14)21-10-15/h5-8,10,16,24H,9H2,1-4H3/t16-/m0/s1.
What are the key properties of (3S)-6-[3-(3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-3-ol?
(3S)-6-[3-(3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-3-ol has a molecular weight of 351.41 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-[3-(3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-3-ol is sourced from PubChem (CID 164877338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).