N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C21H21N5O3S — CID 135956681

About N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 135956681) has the molecular formula C21H21N5O3S and a molecular weight of 423.50 g/mol. Its IUPAC name is N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

• Compound Name: N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
• PubChem CID: 135956681
• Molecular Formula: C21H21N5O3S
• Molecular Weight: 423.50 g/mol
• Exact Mass: 423.14
• IUPAC Name: N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
• SMILES: CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1nc(-c2cccs2)no1
• InChI: InChI=1S/C21H21N5O3S/c1-13(2)26(12-17-22-15-7-4-3-6-14(15)21(28)23-17)19(27)10-9-18-24-20(25-29-18)16-8-5-11-30-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,23,28)
• InChIKey: GYAXEOPKRHEAMS-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 104.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.50
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

The IUPAC name of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 135956681) is N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

What is the SMILES notation for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

The canonical SMILES for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1nc(-c2cccs2)no1.

What is the InChIKey of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

The InChIKey is GYAXEOPKRHEAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3S/c1-13(2)26(12-17-22-15-7-4-3-6-14(15)21(28)23-17)19(27)10-9-18-24-20(25-29-18)16-8-5-11-30-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,23,28).

What are the key properties of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 423.50 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 135956681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).