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

C17H19N5O3 — CID 135534164

IUPAC2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCN(CC(=O)Nc1cc(C)on1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C17H19N5O3/c1-3-22(10-16(23)19-14-8-11(2)25-21-14)9-15-18-13-7-5-4-6-12(13)17(24)20-15/h4-8H,3,9-10H2,1-2H3,(H,18,20,24)(H,19,21,23)
InChIKeyDVZOGPJGXIYIJF-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.68
Rot. Bonds6

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

2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 135534164) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID135534164
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCN(CC(=O)Nc1cc(C)on1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C17H19N5O3/c1-3-22(10-16(23)19-14-8-11(2)25-21-14)9-15-18-13-7-5-4-6-12(13)17(24)20-15/h4-8H,3,9-10H2,1-2H3,(H,18,20,24)(H,19,21,23)
InChIKeyDVZOGPJGXIYIJF-UHFFFAOYSA-N
XLogP1.68
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 135534164) is 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCN(CC(=O)Nc1cc(C)on1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is DVZOGPJGXIYIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-3-22(10-16(23)19-14-8-11(2)25-21-14)9-15-18-13-7-5-4-6-12(13)17(24)20-15/h4-8H,3,9-10H2,1-2H3,(H,18,20,24)(H,19,21,23).
What are the key properties of 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 341.37 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 135534164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).