4-chloro-6-[5-[1-(dimethylamino)propan-2-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl]benzene-1,3-diol

C17H22ClN3O3 — CID 136500587

About 4-chloro-6-[5-[1-(dimethylamino)propan-2-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl]benzene-1,3-diol

4-chloro-6-[5-[1-(dimethylamino)propan-2-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl]benzene-1,3-diol (PubChem CID 136500587) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is 4-chloro-6-[5-[1-(dimethylamino)propan-2-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl]benzene-1,3-diol.

Molecular Properties

• Compound Name: 4-chloro-6-[5-[1-(dimethylamino)propan-2-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl]benzene-1,3-diol
• PubChem CID: 136500587
• Molecular Formula: C17H22ClN3O3
• Molecular Weight: 351.83 g/mol
• Exact Mass: 351.13
• IUPAC Name: 4-chloro-6-[5-[1-(dimethylamino)propan-2-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl]benzene-1,3-diol
• SMILES: CC(CN(C)C)N1CCc2noc(-c3cc(Cl)c(O)cc3O)c2C1
• InChI: InChI=1S/C17H22ClN3O3/c1-10(8-20(2)3)21-5-4-14-12(9-21)17(24-19-14)11-6-13(18)16(23)7-15(11)22/h6-7,10,22-23H,4-5,8-9H2,1-3H3
• InChIKey: OIYCGJPFHSNUHQ-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 72.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.83
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[5-[1-(dimethylamino)propan-2-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl]benzene-1,3-diol?

The IUPAC name of 4-chloro-6-[5-[1-(dimethylamino)propan-2-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl]benzene-1,3-diol (CID 136500587) is 4-chloro-6-[5-[1-(dimethylamino)propan-2-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl]benzene-1,3-diol.

What is the SMILES notation for 4-chloro-6-[5-[1-(dimethylamino)propan-2-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl]benzene-1,3-diol?

The canonical SMILES for 4-chloro-6-[5-[1-(dimethylamino)propan-2-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl]benzene-1,3-diol is CC(CN(C)C)N1CCc2noc(-c3cc(Cl)c(O)cc3O)c2C1.

What is the InChIKey of 4-chloro-6-[5-[1-(dimethylamino)propan-2-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl]benzene-1,3-diol?

The InChIKey is OIYCGJPFHSNUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3/c1-10(8-20(2)3)21-5-4-14-12(9-21)17(24-19-14)11-6-13(18)16(23)7-15(11)22/h6-7,10,22-23H,4-5,8-9H2,1-3H3.

What are the key properties of 4-chloro-6-[5-[1-(dimethylamino)propan-2-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl]benzene-1,3-diol?

4-chloro-6-[5-[1-(dimethylamino)propan-2-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl]benzene-1,3-diol has a molecular weight of 351.83 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-6-[5-[1-(dimethylamino)propan-2-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl]benzene-1,3-diol is sourced from PubChem (CID 136500587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).