3-hydroxy-1-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one

C21H20N2O3 — CID 56749090

About 3-hydroxy-1-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one

3-hydroxy-1-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one (PubChem CID 56749090) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-hydroxy-1-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-hydroxy-1-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one
• PubChem CID: 56749090
• Molecular Formula: C21H20N2O3
• Molecular Weight: 348.40 g/mol
• Exact Mass: 348.15
• IUPAC Name: 3-hydroxy-1-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one
• SMILES: O=C(CCO)N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1
• InChI: InChI=1S/C21H20N2O3/c24-13-11-20(25)23-12-10-19-18(14-23)21(22-26-19)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,24H,10-14H2
• InChIKey: QIFWEEYPQJOQTA-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 66.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.40
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one?

The IUPAC name of 3-hydroxy-1-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one (CID 56749090) is 3-hydroxy-1-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one.

What is the SMILES notation for 3-hydroxy-1-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one?

The canonical SMILES for 3-hydroxy-1-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one is O=C(CCO)N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1.

What is the InChIKey of 3-hydroxy-1-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one?

The InChIKey is QIFWEEYPQJOQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-13-11-20(25)23-12-10-19-18(14-23)21(22-26-19)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,24H,10-14H2.

What are the key properties of 3-hydroxy-1-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one?

3-hydroxy-1-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one has a molecular weight of 348.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-hydroxy-1-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one is sourced from PubChem (CID 56749090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).