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

C18H18N4O3 — CID 135900604

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

5-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 135900604) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 5-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 135900604
• Molecular Formula: C18H18N4O3
• Molecular Weight: 338.37 g/mol
• Exact Mass: 338.14
• IUPAC Name: 5-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide
• SMILES: CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(C2CC2)on1
• InChI: InChI=1S/C18H18N4O3/c1-2-22(18(24)14-9-15(25-21-14)11-7-8-11)10-16-19-13-6-4-3-5-12(13)17(23)20-16/h3-6,9,11H,2,7-8,10H2,1H3,(H,19,20,23)
• InChIKey: DENBVSGIFAZMMX-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 92.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.37
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide (CID 135900604) is 5-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for 5-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(C2CC2)on1.

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

The InChIKey is DENBVSGIFAZMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-2-22(18(24)14-9-15(25-21-14)11-7-8-11)10-16-19-13-6-4-3-5-12(13)17(23)20-16/h3-6,9,11H,2,7-8,10H2,1H3,(H,19,20,23).

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

5-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 135900604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).