3-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]phenol

C23H20N2O2 — CID 56750844

About 3-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]phenol

3-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]phenol (PubChem CID 56750844) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]phenol.

Molecular Properties

• Compound Name: 3-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]phenol
• PubChem CID: 56750844
• Molecular Formula: C23H20N2O2
• Molecular Weight: 356.43 g/mol
• Exact Mass: 356.15
• IUPAC Name: 3-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]phenol
• SMILES: Oc1cccc(CN2CCc3onc(-c4cccc5ccccc45)c3C2)c1
• InChI: InChI=1S/C23H20N2O2/c26-18-8-3-5-16(13-18)14-25-12-11-22-21(15-25)23(24-27-22)20-10-4-7-17-6-1-2-9-19(17)20/h1-10,13,26H,11-12,14-15H2
• InChIKey: ANEHNAZSSAMNRE-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 49.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.43
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]phenol?

The IUPAC name of 3-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]phenol (CID 56750844) is 3-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]phenol.

What is the SMILES notation for 3-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]phenol?

The canonical SMILES for 3-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]phenol is Oc1cccc(CN2CCc3onc(-c4cccc5ccccc45)c3C2)c1.

What is the InChIKey of 3-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]phenol?

The InChIKey is ANEHNAZSSAMNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c26-18-8-3-5-16(13-18)14-25-12-11-22-21(15-25)23(24-27-22)20-10-4-7-17-6-1-2-9-19(17)20/h1-10,13,26H,11-12,14-15H2.

What are the key properties of 3-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]phenol?

3-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]phenol has a molecular weight of 356.43 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]phenol is sourced from PubChem (CID 56750844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).