1,2-oxazol-5-yl-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methanone

C20H21N5O4 — CID 126896594

About 1,2-oxazol-5-yl-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methanone

1,2-oxazol-5-yl-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methanone (PubChem CID 126896594) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is 1,2-oxazol-5-yl-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: 1,2-oxazol-5-yl-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methanone
• PubChem CID: 126896594
• Molecular Formula: C20H21N5O4
• Molecular Weight: 395.42 g/mol
• Exact Mass: 395.16
• IUPAC Name: 1,2-oxazol-5-yl-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methanone
• SMILES: O=C(c1ccno1)N1CCN(c2ccc3ncnc(OC4CCOC4)c3c2)CC1
• InChI: InChI=1S/C20H21N5O4/c26-20(18-3-5-23-29-18)25-8-6-24(7-9-25)14-1-2-17-16(11-14)19(22-13-21-17)28-15-4-10-27-12-15/h1-3,5,11,13,15H,4,6-10,12H2
• InChIKey: GBAVPXWYTXXEEC-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 93.82 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.42
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-5-yl-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methanone?

The IUPAC name of 1,2-oxazol-5-yl-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methanone (CID 126896594) is 1,2-oxazol-5-yl-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methanone.

What is the SMILES notation for 1,2-oxazol-5-yl-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methanone?

The canonical SMILES for 1,2-oxazol-5-yl-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methanone is O=C(c1ccno1)N1CCN(c2ccc3ncnc(OC4CCOC4)c3c2)CC1.

What is the InChIKey of 1,2-oxazol-5-yl-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methanone?

The InChIKey is GBAVPXWYTXXEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c26-20(18-3-5-23-29-18)25-8-6-24(7-9-25)14-1-2-17-16(11-14)19(22-13-21-17)28-15-4-10-27-12-15/h1-3,5,11,13,15H,4,6-10,12H2.

What are the key properties of 1,2-oxazol-5-yl-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methanone?

1,2-oxazol-5-yl-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methanone has a molecular weight of 395.42 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-oxazol-5-yl-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 126896594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).