2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-1-ol

C30H32N6O3 — CID 129165853

About 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-1-ol

2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-1-ol (PubChem CID 129165853) has the molecular formula C30H32N6O3 and a molecular weight of 524.63 g/mol. Its IUPAC name is 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-1-ol.

Molecular Properties

• Compound Name: 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-1-ol
• PubChem CID: 129165853
• Molecular Formula: C30H32N6O3
• Molecular Weight: 524.63 g/mol
• Exact Mass: 524.25
• IUPAC Name: 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-1-ol
• SMILES: Cc1noc(C)c1-c1ccc2nc(-c3cnn(C(C)(C)CO)c3)nc(N3CCOC[C@@H]3c3ccccc3)c2c1
• InChI: InChI=1S/C30H32N6O3/c1-19-27(20(2)39-34-19)22-10-11-25-24(14-22)29(35-12-13-38-17-26(35)21-8-6-5-7-9-21)33-28(32-25)23-15-31-36(16-23)30(3,4)18-37/h5-11,14-16,26,37H,12-13,17-18H2,1-4H3/t26-/m1/s1
• InChIKey: UNIBMWAEGWXDFA-AREMUKBSSA-N
• XLogP: 5.07
• TPSA: 102.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.63
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-1-ol (CID 129165853) is 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-1-ol.

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

The canonical SMILES for 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-1-ol is Cc1noc(C)c1-c1ccc2nc(-c3cnn(C(C)(C)CO)c3)nc(N3CCOC[C@@H]3c3ccccc3)c2c1.

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

The InChIKey is UNIBMWAEGWXDFA-AREMUKBSSA-N. The full InChI is InChI=1S/C30H32N6O3/c1-19-27(20(2)39-34-19)22-10-11-25-24(14-22)29(35-12-13-38-17-26(35)21-8-6-5-7-9-21)33-28(32-25)23-15-31-36(16-23)30(3,4)18-37/h5-11,14-16,26,37H,12-13,17-18H2,1-4H3/t26-/m1/s1.

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

2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-1-ol has a molecular weight of 524.63 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 129165853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).