3,6-dimethyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-[1,2]oxazolo[5,4-b]pyridine

C14H14N4O3 — CID 97445273

IUPAC3,6-dimethyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-[1,2]oxazolo[5,4-b]pyridine
SMILESCc1cc(-c2nc([C@H]3CCOC3)no2)c2c(C)noc2n1
InChIInChI=1S/C14H14N4O3/c1-7-5-10(11-8(2)17-21-14(11)15-7)13-16-12(18-20-13)9-3-4-19-6-9/h5,9H,3-4,6H2,1-2H3/t9-/m0/s1
InChIKeyJPBAWWRXVLQULV-VIFPVBQESA-N
MW286.29 g/mol
LogP2.39
Rot. Bonds2

About 3,6-dimethyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-[1,2]oxazolo[5,4-b]pyridine

3,6-dimethyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 97445273) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3,6-dimethyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3,6-dimethyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-[1,2]oxazolo[5,4-b]pyridine
PubChem CID97445273
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name3,6-dimethyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-[1,2]oxazolo[5,4-b]pyridine
SMILESCc1cc(-c2nc([C@H]3CCOC3)no2)c2c(C)noc2n1
InChIInChI=1S/C14H14N4O3/c1-7-5-10(11-8(2)17-21-14(11)15-7)13-16-12(18-20-13)9-3-4-19-6-9/h5,9H,3-4,6H2,1-2H3/t9-/m0/s1
InChIKeyJPBAWWRXVLQULV-VIFPVBQESA-N
XLogP2.39
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3,6-dimethyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-[1,2]oxazolo[5,4-b]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole
CID 72939607
5-(6-ethyl-2-methylquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97437705
4-methyl-2-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
CID 136678833
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72861127
5-(5-fluoro-2-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72916243
3-[(3S)-oxolan-3-yl]-5-(2,4,6-trimethylphenyl)-1,2,4-oxadiazole
CID 97436766
5-(5-methylpyrazin-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72916447
N,N,4-trimethyl-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine
CID 72904330
4-iodo-2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136886042
5-(2,3-dimethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72911925
1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]ethanone
CID 97434052
5-(2,4-dimethylquinolin-7-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72897701

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 3,6-dimethyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-[1,2]oxazolo[5,4-b]pyridine (CID 97445273) is 3,6-dimethyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 3,6-dimethyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 3,6-dimethyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-[1,2]oxazolo[5,4-b]pyridine is Cc1cc(-c2nc([C@H]3CCOC3)no2)c2c(C)noc2n1.
What is the InChIKey of 3,6-dimethyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is JPBAWWRXVLQULV-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14N4O3/c1-7-5-10(11-8(2)17-21-14(11)15-7)13-16-12(18-20-13)9-3-4-19-6-9/h5,9H,3-4,6H2,1-2H3/t9-/m0/s1.
What are the key properties of 3,6-dimethyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-[1,2]oxazolo[5,4-b]pyridine?
3,6-dimethyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 286.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 97445273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).