[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone

C32H34N8O3 — CID 129165824

About [4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone

[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 129165824) has the molecular formula C32H34N8O3 and a molecular weight of 578.68 g/mol. Its IUPAC name is [4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

• Compound Name: [4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
• PubChem CID: 129165824
• Molecular Formula: C32H34N8O3
• Molecular Weight: 578.68 g/mol
• Exact Mass: 578.28
• IUPAC Name: [4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
• SMILES: Cc1noc(C)c1-c1ccc2nc(N3CCN(C(=O)c4cnn(C)c4)CC3)nc(N3CCOC[C@@H]3c3ccccc3)c2c1
• InChI: InChI=1S/C32H34N8O3/c1-21-29(22(2)43-36-21)24-9-10-27-26(17-24)30(40-15-16-42-20-28(40)23-7-5-4-6-8-23)35-32(34-27)39-13-11-38(12-14-39)31(41)25-18-33-37(3)19-25/h4-10,17-19,28H,11-16,20H2,1-3H3/t28-/m1/s1
• InChIKey: NGPDODRFKSEFHA-MUUNZHRXSA-N
• XLogP: 4.18
• TPSA: 105.65 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	578.68
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of [4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 129165824) is [4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone.

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

The canonical SMILES for [4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cc1noc(C)c1-c1ccc2nc(N3CCN(C(=O)c4cnn(C)c4)CC3)nc(N3CCOC[C@@H]3c3ccccc3)c2c1.

What is the InChIKey of [4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone?

The InChIKey is NGPDODRFKSEFHA-MUUNZHRXSA-N. The full InChI is InChI=1S/C32H34N8O3/c1-21-29(22(2)43-36-21)24-9-10-27-26(17-24)30(40-15-16-42-20-28(40)23-7-5-4-6-8-23)35-32(34-27)39-13-11-38(12-14-39)31(41)25-18-33-37(3)19-25/h4-10,17-19,28H,11-16,20H2,1-3H3/t28-/m1/s1.

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

[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 578.68 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 129165824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).