6-methyl-4-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one

C21H21N3O3 — CID 170502130

About 6-methyl-4-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one

6-methyl-4-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one (PubChem CID 170502130) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 6-methyl-4-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 6-methyl-4-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one
• PubChem CID: 170502130
• Molecular Formula: C21H21N3O3
• Molecular Weight: 363.42 g/mol
• Exact Mass: 363.16
• IUPAC Name: 6-methyl-4-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one
• SMILES: Cc1cc(C(=O)N2CCc3oc(CCc4ccccc4)nc3C2)cc(=O)[nH]1
• InChI: InChI=1S/C21H21N3O3/c1-14-11-16(12-19(25)22-14)21(26)24-10-9-18-17(13-24)23-20(27-18)8-7-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3,(H,22,25)
• InChIKey: YMBWHHJIZNIJRX-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 79.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.42
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one?

The IUPAC name of 6-methyl-4-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one (CID 170502130) is 6-methyl-4-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one.

What is the SMILES notation for 6-methyl-4-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one?

The canonical SMILES for 6-methyl-4-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one is Cc1cc(C(=O)N2CCc3oc(CCc4ccccc4)nc3C2)cc(=O)[nH]1.

What is the InChIKey of 6-methyl-4-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one?

The InChIKey is YMBWHHJIZNIJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14-11-16(12-19(25)22-14)21(26)24-10-9-18-17(13-24)23-20(27-18)8-7-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3,(H,22,25).

What are the key properties of 6-methyl-4-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one?

6-methyl-4-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one has a molecular weight of 363.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-4-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 170502130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).