2-[(3-chlorophenyl)methyl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide

C23H24ClN3O3 — CID 45173436

About 2-[(3-chlorophenyl)methyl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide

2-[(3-chlorophenyl)methyl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide (PubChem CID 45173436) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide.

Molecular Properties

• Compound Name: 2-[(3-chlorophenyl)methyl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide
• PubChem CID: 45173436
• Molecular Formula: C23H24ClN3O3
• Molecular Weight: 425.92 g/mol
• Exact Mass: 425.15
• IUPAC Name: 2-[(3-chlorophenyl)methyl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide
• SMILES: CC(C)N(CC1CCC(=O)N1)C(=O)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1
• InChI: InChI=1S/C23H24ClN3O3/c1-14(2)27(13-18-7-9-21(28)25-18)23(29)16-6-8-19-20(12-16)30-22(26-19)11-15-4-3-5-17(24)10-15/h3-6,8,10,12,14,18H,7,9,11,13H2,1-2H3,(H,25,28)
• InChIKey: CAWMYVAQUZRTOE-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.92
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide?

The IUPAC name of 2-[(3-chlorophenyl)methyl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide (CID 45173436) is 2-[(3-chlorophenyl)methyl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide.

What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide?

The canonical SMILES for 2-[(3-chlorophenyl)methyl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide is CC(C)N(CC1CCC(=O)N1)C(=O)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1.

What is the InChIKey of 2-[(3-chlorophenyl)methyl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide?

The InChIKey is CAWMYVAQUZRTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-14(2)27(13-18-7-9-21(28)25-18)23(29)16-6-8-19-20(12-16)30-22(26-19)11-15-4-3-5-17(24)10-15/h3-6,8,10,12,14,18H,7,9,11,13H2,1-2H3,(H,25,28).

What are the key properties of 2-[(3-chlorophenyl)methyl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide?

2-[(3-chlorophenyl)methyl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide has a molecular weight of 425.92 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-chlorophenyl)methyl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 45173436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).