2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]acetamide

C25H22ClN7O2 — CID 129166040

About 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]acetamide

2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]acetamide (PubChem CID 129166040) has the molecular formula C25H22ClN7O2 and a molecular weight of 487.95 g/mol. Its IUPAC name is 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]acetamide
• PubChem CID: 129166040
• Molecular Formula: C25H22ClN7O2
• Molecular Weight: 487.95 g/mol
• Exact Mass: 487.15
• IUPAC Name: 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]acetamide
• SMILES: Cc1noc(C)c1-c1ccc2nc(-c3cnn(CC(N)=O)c3)nc(NCc3cccc(Cl)c3)c2c1
• InChI: InChI=1S/C25H22ClN7O2/c1-14-23(15(2)35-32-14)17-6-7-21-20(9-17)25(28-10-16-4-3-5-19(26)8-16)31-24(30-21)18-11-29-33(12-18)13-22(27)34/h3-9,11-12H,10,13H2,1-2H3,(H2,27,34)(H,28,30,31)
• InChIKey: OWYNJHSTUCAULD-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 124.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.95
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]acetamide?

The IUPAC name of 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]acetamide (CID 129166040) is 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]acetamide.

What is the SMILES notation for 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]acetamide?

The canonical SMILES for 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]acetamide is Cc1noc(C)c1-c1ccc2nc(-c3cnn(CC(N)=O)c3)nc(NCc3cccc(Cl)c3)c2c1.

What is the InChIKey of 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]acetamide?

The InChIKey is OWYNJHSTUCAULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN7O2/c1-14-23(15(2)35-32-14)17-6-7-21-20(9-17)25(28-10-16-4-3-5-19(26)8-16)31-24(30-21)18-11-29-33(12-18)13-22(27)34/h3-9,11-12H,10,13H2,1-2H3,(H2,27,34)(H,28,30,31).

What are the key properties of 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]acetamide?

2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]acetamide has a molecular weight of 487.95 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 129166040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).