N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide

C20H25N5O3 — CID 135848614

About N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide (PubChem CID 135848614) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide.

Molecular Properties

• Compound Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
• PubChem CID: 135848614
• Molecular Formula: C20H25N5O3
• Molecular Weight: 383.45 g/mol
• Exact Mass: 383.20
• IUPAC Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
• SMILES: CCN(CC(=O)Nc1cc(C(C)(C)C)no1)Cc1nc2ccccc2c(=O)[nH]1
• InChI: InChI=1S/C20H25N5O3/c1-5-25(11-16-21-14-9-7-6-8-13(14)19(27)22-16)12-17(26)23-18-10-15(24-28-18)20(2,3)4/h6-10H,5,11-12H2,1-4H3,(H,23,26)(H,21,22,27)
• InChIKey: BOIZEUZHHCSGIV-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 104.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.45
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?

The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide (CID 135848614) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide.

What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?

The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide is CCN(CC(=O)Nc1cc(C(C)(C)C)no1)Cc1nc2ccccc2c(=O)[nH]1.

What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?

The InChIKey is BOIZEUZHHCSGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-5-25(11-16-21-14-9-7-6-8-13(14)19(27)22-16)12-17(26)23-18-10-15(24-28-18)20(2,3)4/h6-10H,5,11-12H2,1-4H3,(H,23,26)(H,21,22,27).

What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide has a molecular weight of 383.45 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 135848614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).