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

C21H18N4O3 — CID 56866838

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

5-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 56866838) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 5-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]-1H-pyrimidine-2,4-dione
• PubChem CID: 56866838
• Molecular Formula: C21H18N4O3
• Molecular Weight: 374.40 g/mol
• Exact Mass: 374.14
• IUPAC Name: 5-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]-1H-pyrimidine-2,4-dione
• SMILES: O=c1[nH]cc(CN2CCc3onc(-c4cccc5ccccc45)c3C2)c(=O)[nH]1
• InChI: InChI=1S/C21H18N4O3/c26-20-14(10-22-21(27)23-20)11-25-9-8-18-17(12-25)19(24-28-18)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,10H,8-9,11-12H2,(H2,22,23,26,27)
• InChIKey: ZXQWPNARAPKATM-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 94.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.40
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]-1H-pyrimidine-2,4-dione (CID 56866838) is 5-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]-1H-pyrimidine-2,4-dione.

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

The canonical SMILES for 5-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(CN2CCc3onc(-c4cccc5ccccc45)c3C2)c(=O)[nH]1.

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

The InChIKey is ZXQWPNARAPKATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c26-20-14(10-22-21(27)23-20)11-25-9-8-18-17(12-25)19(24-28-18)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,10H,8-9,11-12H2,(H2,22,23,26,27).

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

5-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 374.40 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 56866838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).