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

C22H19N3O2 — CID 56868970

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

(4-methyl-1H-pyrrol-2-yl)-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 56868970) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is (4-methyl-1H-pyrrol-2-yl)-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

• Compound Name: (4-methyl-1H-pyrrol-2-yl)-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone
• PubChem CID: 56868970
• Molecular Formula: C22H19N3O2
• Molecular Weight: 357.41 g/mol
• Exact Mass: 357.15
• IUPAC Name: (4-methyl-1H-pyrrol-2-yl)-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone
• SMILES: Cc1c[nH]c(C(=O)N2CCc3onc(-c4cccc5ccccc45)c3C2)c1
• InChI: InChI=1S/C22H19N3O2/c1-14-11-19(23-12-14)22(26)25-10-9-20-18(13-25)21(24-27-20)17-8-4-6-15-5-2-3-7-16(15)17/h2-8,11-12,23H,9-10,13H2,1H3
• InChIKey: PQMLWJQFKQQQIJ-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 62.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.41
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of (4-methyl-1H-pyrrol-2-yl)-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone (CID 56868970) is (4-methyl-1H-pyrrol-2-yl)-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone.

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

The canonical SMILES for (4-methyl-1H-pyrrol-2-yl)-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone is Cc1c[nH]c(C(=O)N2CCc3onc(-c4cccc5ccccc45)c3C2)c1.

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

The InChIKey is PQMLWJQFKQQQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-14-11-19(23-12-14)22(26)25-10-9-20-18(13-25)21(24-27-20)17-8-4-6-15-5-2-3-7-16(15)17/h2-8,11-12,23H,9-10,13H2,1H3.

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

(4-methyl-1H-pyrrol-2-yl)-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 357.41 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methyl-1H-pyrrol-2-yl)-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 56868970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).