3-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,3-benzoxazol-2-one

C19H20N4O3 — CID 118741479

About 3-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,3-benzoxazol-2-one

3-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,3-benzoxazol-2-one (PubChem CID 118741479) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,3-benzoxazol-2-one.

Molecular Properties

• Compound Name: 3-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,3-benzoxazol-2-one
• PubChem CID: 118741479
• Molecular Formula: C19H20N4O3
• Molecular Weight: 352.39 g/mol
• Exact Mass: 352.15
• IUPAC Name: 3-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,3-benzoxazol-2-one
• SMILES: CNc1cc(C2CCCN2C(=O)c2ccc3oc(=O)n(C)c3c2)ccn1
• InChI: InChI=1S/C19H20N4O3/c1-20-17-11-12(7-8-21-17)14-4-3-9-23(14)18(24)13-5-6-16-15(10-13)22(2)19(25)26-16/h5-8,10-11,14H,3-4,9H2,1-2H3,(H,20,21)
• InChIKey: WMMRGSWARIQLJL-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 80.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.39
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,3-benzoxazol-2-one?

The IUPAC name of 3-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,3-benzoxazol-2-one (CID 118741479) is 3-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,3-benzoxazol-2-one.

What is the SMILES notation for 3-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,3-benzoxazol-2-one?

The canonical SMILES for 3-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,3-benzoxazol-2-one is CNc1cc(C2CCCN2C(=O)c2ccc3oc(=O)n(C)c3c2)ccn1.

What is the InChIKey of 3-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,3-benzoxazol-2-one?

The InChIKey is WMMRGSWARIQLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-20-17-11-12(7-8-21-17)14-4-3-9-23(14)18(24)13-5-6-16-15(10-13)22(2)19(25)26-16/h5-8,10-11,14H,3-4,9H2,1-2H3,(H,20,21).

What are the key properties of 3-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,3-benzoxazol-2-one?

3-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,3-benzoxazol-2-one has a molecular weight of 352.39 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 118741479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).