N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C21H20N4O4 — CID 90618934

About N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 90618934) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
• PubChem CID: 90618934
• Molecular Formula: C21H20N4O4
• Molecular Weight: 392.42 g/mol
• Exact Mass: 392.15
• IUPAC Name: N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
• SMILES: O=C(Cn1c(=O)oc2ccccc21)NCC1CCCN1c1nc2ccccc2o1
• InChI: InChI=1S/C21H20N4O4/c26-19(13-25-16-8-2-4-10-18(16)29-21(25)27)22-12-14-6-5-11-24(14)20-23-15-7-1-3-9-17(15)28-20/h1-4,7-10,14H,5-6,11-13H2,(H,22,26)
• InChIKey: BLPUIUMJUZDJMQ-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 93.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.42
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?

The IUPAC name of N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 90618934) is N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

What is the SMILES notation for N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?

The canonical SMILES for N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is O=C(Cn1c(=O)oc2ccccc21)NCC1CCCN1c1nc2ccccc2o1.

What is the InChIKey of N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?

The InChIKey is BLPUIUMJUZDJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c26-19(13-25-16-8-2-4-10-18(16)29-21(25)27)22-12-14-6-5-11-24(14)20-23-15-7-1-3-9-17(15)28-20/h1-4,7-10,14H,5-6,11-13H2,(H,22,26).

What are the key properties of N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?

N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 392.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 90618934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).