N-benzyl-5-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide

C24H18N4O4 — CID 135857725

About N-benzyl-5-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide

N-benzyl-5-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 135857725) has the molecular formula C24H18N4O4 and a molecular weight of 426.43 g/mol. Its IUPAC name is N-benzyl-5-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-5-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 135857725
• Molecular Formula: C24H18N4O4
• Molecular Weight: 426.43 g/mol
• Exact Mass: 426.13
• IUPAC Name: N-benzyl-5-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide
• SMILES: O=C(c1cc(-c2ccco2)on1)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1
• InChI: InChI=1S/C24H18N4O4/c29-23-17-9-4-5-10-18(17)25-22(26-23)15-28(14-16-7-2-1-3-8-16)24(30)19-13-21(32-27-19)20-11-6-12-31-20/h1-13H,14-15H2,(H,25,26,29)
• InChIKey: BGEIFUXXZYAPTH-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 105.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.43
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of N-benzyl-5-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide (CID 135857725) is N-benzyl-5-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-benzyl-5-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-benzyl-5-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide is O=C(c1cc(-c2ccco2)on1)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1.

What is the InChIKey of N-benzyl-5-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide?

The InChIKey is BGEIFUXXZYAPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O4/c29-23-17-9-4-5-10-18(17)25-22(26-23)15-28(14-16-7-2-1-3-8-16)24(30)19-13-21(32-27-19)20-11-6-12-31-20/h1-13H,14-15H2,(H,25,26,29).

What are the key properties of N-benzyl-5-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide?

N-benzyl-5-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 426.43 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-5-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 135857725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).