1-[4-[2,6-dimethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol

C18H22N6O2 — CID 22088654

IUPAC1-[4-[2,6-dimethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCC(O)c1nccc(N2C(C)CN(c3nc4ncccc4o3)CC2C)n1
InChIInChI=1S/C18H22N6O2/c1-11-9-23(18-22-17-14(26-18)5-4-7-19-17)10-12(2)24(11)15-6-8-20-16(21-15)13(3)25/h4-8,11-13,25H,9-10H2,1-3H3
InChIKeyIPCLAZSAYQDMPA-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.17
Rot. Bonds3

About 1-[4-[2,6-dimethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol

1-[4-[2,6-dimethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol (PubChem CID 22088654) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[4-[2,6-dimethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[4-[2,6-dimethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
PubChem CID22088654
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name1-[4-[2,6-dimethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCC(O)c1nccc(N2C(C)CN(c3nc4ncccc4o3)CC2C)n1
InChIInChI=1S/C18H22N6O2/c1-11-9-23(18-22-17-14(26-18)5-4-7-19-17)10-12(2)24(11)15-6-8-20-16(21-15)13(3)25/h4-8,11-13,25H,9-10H2,1-3H3
InChIKeyIPCLAZSAYQDMPA-UHFFFAOYSA-N
XLogP2.17
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-[2,6-dimethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol 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

1-[4-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 22328723
(1S)-1-[4-[(2R,6S)-4-[4-[(1S)-1-hydroxyethyl]-1,3,5-triazin-2-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol
CID 10133091
1-[4-[2,6-dimethyl-4-(2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 22088649
1-[(2S,6R)-4-[2-[(1R)-1-hydroxyethyl]pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-2-pyrimidin-2-ylsulfanylethanone
CID 22088594
(1R)-1-[4-[(3S,5R)-4-[4-(hydroxymethyl)-6-methyl-1,3,5-triazin-2-yl]-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol
CID 59083738
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidin-3-amine
CID 43831644
1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-phenylpropan-1-one
CID 46270779
1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol
CID 22088662
2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;dihydrobromide
CID 11452552
1-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 22328845
N-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)morpholin-2-amine;dihydrochloride
CID 56924271
(1R)-1-[4-[(3R,5S)-3,5-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 59984439

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2,6-dimethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The IUPAC name of 1-[4-[2,6-dimethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol (CID 22088654) is 1-[4-[2,6-dimethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol.
What is the SMILES notation for 1-[4-[2,6-dimethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The canonical SMILES for 1-[4-[2,6-dimethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol is CC(O)c1nccc(N2C(C)CN(c3nc4ncccc4o3)CC2C)n1.
What is the InChIKey of 1-[4-[2,6-dimethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The InChIKey is IPCLAZSAYQDMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-11-9-23(18-22-17-14(26-18)5-4-7-19-17)10-12(2)24(11)15-6-8-20-16(21-15)13(3)25/h4-8,11-13,25H,9-10H2,1-3H3.
What are the key properties of 1-[4-[2,6-dimethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
1-[4-[2,6-dimethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol has a molecular weight of 354.41 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2,6-dimethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 22088654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).