3-(4-oxo-3H-quinazolin-2-yl)-N-[4-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]propanamide

C28H31N5O3 — CID 136612482

About 3-(4-oxo-3H-quinazolin-2-yl)-N-[4-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]propanamide

3-(4-oxo-3H-quinazolin-2-yl)-N-[4-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]propanamide (PubChem CID 136612482) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 3-(4-oxo-3H-quinazolin-2-yl)-N-[4-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]propanamide.

Molecular Properties

• Compound Name: 3-(4-oxo-3H-quinazolin-2-yl)-N-[4-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]propanamide
• PubChem CID: 136612482
• Molecular Formula: C28H31N5O3
• Molecular Weight: 485.59 g/mol
• Exact Mass: 485.24
• IUPAC Name: 3-(4-oxo-3H-quinazolin-2-yl)-N-[4-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]propanamide
• SMILES: CC(C)(c1ccccc1)c1nnc(C2CCC(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)CC2)o1
• InChI: InChI=1S/C28H31N5O3/c1-28(2,19-8-4-3-5-9-19)27-33-32-26(36-27)18-12-14-20(15-13-18)29-24(34)17-16-23-30-22-11-7-6-10-21(22)25(35)31-23/h3-11,18,20H,12-17H2,1-2H3,(H,29,34)(H,30,31,35)
• InChIKey: HLVLEHUMDYFMLI-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 113.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.59
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-(4-oxo-3H-quinazolin-2-yl)-N-[4-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]propanamide (CID 136612482) is 3-(4-oxo-3H-quinazolin-2-yl)-N-[4-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]propanamide.

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

The canonical SMILES for 3-(4-oxo-3H-quinazolin-2-yl)-N-[4-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]propanamide is CC(C)(c1ccccc1)c1nnc(C2CCC(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)CC2)o1.

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

The InChIKey is HLVLEHUMDYFMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-28(2,19-8-4-3-5-9-19)27-33-32-26(36-27)18-12-14-20(15-13-18)29-24(34)17-16-23-30-22-11-7-6-10-21(22)25(35)31-23/h3-11,18,20H,12-17H2,1-2H3,(H,29,34)(H,30,31,35).

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

3-(4-oxo-3H-quinazolin-2-yl)-N-[4-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]propanamide has a molecular weight of 485.59 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-oxo-3H-quinazolin-2-yl)-N-[4-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]propanamide is sourced from PubChem (CID 136612482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).