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

C19H20N4O4 — CID 135616548

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

5-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 135616548) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 5-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 135616548
• Molecular Formula: C19H20N4O4
• Molecular Weight: 368.39 g/mol
• Exact Mass: 368.15
• IUPAC Name: 5-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1cc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)CC2CCCO2)no1
• InChI: InChI=1S/C19H20N4O4/c1-12-9-16(22-27-12)19(25)23(10-13-5-4-8-26-13)11-17-20-15-7-3-2-6-14(15)18(24)21-17/h2-3,6-7,9,13H,4-5,8,10-11H2,1H3,(H,20,21,24)
• InChIKey: IHEXKOXGZWXQNT-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 101.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.39
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide (CID 135616548) is 5-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for 5-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)CC2CCCO2)no1.

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

The InChIKey is IHEXKOXGZWXQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-12-9-16(22-27-12)19(25)23(10-13-5-4-8-26-13)11-17-20-15-7-3-2-6-14(15)18(24)21-17/h2-3,6-7,9,13H,4-5,8,10-11H2,1H3,(H,20,21,24).

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

5-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 135616548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).