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

C30H31FN6O3 — CID 162659992

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

1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 162659992) has the molecular formula C30H31FN6O3 and a molecular weight of 542.62 g/mol. Its IUPAC name is 1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

• Compound Name: 1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
• PubChem CID: 162659992
• Molecular Formula: C30H31FN6O3
• Molecular Weight: 542.62 g/mol
• Exact Mass: 542.24
• IUPAC Name: 1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
• SMILES: Cc1noc(C)c1-c1ccc2nc(-c3cnn(CC(C)(C)O)c3)nc(N3CCOC[C@@H]3c3ccc(F)cc3)c2c1
• InChI: InChI=1S/C30H31FN6O3/c1-18-27(19(2)40-35-18)21-7-10-25-24(13-21)29(34-28(33-25)22-14-32-36(15-22)17-30(3,4)38)37-11-12-39-16-26(37)20-5-8-23(31)9-6-20/h5-10,13-15,26,38H,11-12,16-17H2,1-4H3/t26-/m1/s1
• InChIKey: CWSSFUVXMUVANQ-AREMUKBSSA-N
• XLogP: 5.25
• TPSA: 102.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.62
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol (CID 162659992) is 1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol.

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

The canonical SMILES for 1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol is Cc1noc(C)c1-c1ccc2nc(-c3cnn(CC(C)(C)O)c3)nc(N3CCOC[C@@H]3c3ccc(F)cc3)c2c1.

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

The InChIKey is CWSSFUVXMUVANQ-AREMUKBSSA-N. The full InChI is InChI=1S/C30H31FN6O3/c1-18-27(19(2)40-35-18)21-7-10-25-24(13-21)29(34-28(33-25)22-14-32-36(15-22)17-30(3,4)38)37-11-12-39-16-26(37)20-5-8-23(31)9-6-20/h5-10,13-15,26,38H,11-12,16-17H2,1-4H3/t26-/m1/s1.

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

1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 542.62 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 162659992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).