(4S)-4-phenyl-2-[2-[6-[6-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-2-pyridinyl]-2-pyridinyl]propan-2-yl]-4,5-dihydro-1,3-oxazole

C34H34N4O2 — CID 101183979

About (4S)-4-phenyl-2-[2-[6-[6-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-2-pyridinyl]-2-pyridinyl]propan-2-yl]-4,5-dihydro-1,3-oxazole

(4S)-4-phenyl-2-[2-[6-[6-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-2-pyridinyl]-2-pyridinyl]propan-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 101183979) has the molecular formula C34H34N4O2 and a molecular weight of 530.67 g/mol. Its IUPAC name is (4S)-4-phenyl-2-[2-[6-[6-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-2-pyridinyl]-2-pyridinyl]propan-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

• Compound Name: (4S)-4-phenyl-2-[2-[6-[6-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-2-pyridinyl]-2-pyridinyl]propan-2-yl]-4,5-dihydro-1,3-oxazole
• PubChem CID: 101183979
• Molecular Formula: C34H34N4O2
• Molecular Weight: 530.67 g/mol
• Exact Mass: 530.27
• IUPAC Name: (4S)-4-phenyl-2-[2-[6-[6-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-2-pyridinyl]-2-pyridinyl]propan-2-yl]-4,5-dihydro-1,3-oxazole
• SMILES: CC(C)(C1=N[C@@H](c2ccccc2)CO1)c1cccc(-c2cccc(C(C)(C)C3=N[C@@H](c4ccccc4)CO3)n2)n1
• InChI: InChI=1S/C34H34N4O2/c1-33(2,31-37-27(21-39-31)23-13-7-5-8-14-23)29-19-11-17-25(35-29)26-18-12-20-30(36-26)34(3,4)32-38-28(22-40-32)24-15-9-6-10-16-24/h5-20,27-28H,21-22H2,1-4H3/t27-,28-/m1/s1
• InChIKey: PPFGBHVHUFWGTI-VSGBNLITSA-N
• XLogP: 7.04
• TPSA: 68.96 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.67
LogP ≤ 5	7.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyl-2-[2-[6-[6-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-2-pyridinyl]-2-pyridinyl]propan-2-yl]-4,5-dihydro-1,3-oxazole?

The IUPAC name of (4S)-4-phenyl-2-[2-[6-[6-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-2-pyridinyl]-2-pyridinyl]propan-2-yl]-4,5-dihydro-1,3-oxazole (CID 101183979) is (4S)-4-phenyl-2-[2-[6-[6-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-2-pyridinyl]-2-pyridinyl]propan-2-yl]-4,5-dihydro-1,3-oxazole.

What is the SMILES notation for (4S)-4-phenyl-2-[2-[6-[6-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-2-pyridinyl]-2-pyridinyl]propan-2-yl]-4,5-dihydro-1,3-oxazole?

The canonical SMILES for (4S)-4-phenyl-2-[2-[6-[6-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-2-pyridinyl]-2-pyridinyl]propan-2-yl]-4,5-dihydro-1,3-oxazole is CC(C)(C1=N[C@@H](c2ccccc2)CO1)c1cccc(-c2cccc(C(C)(C)C3=N[C@@H](c4ccccc4)CO3)n2)n1.

What is the InChIKey of (4S)-4-phenyl-2-[2-[6-[6-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-2-pyridinyl]-2-pyridinyl]propan-2-yl]-4,5-dihydro-1,3-oxazole?

The InChIKey is PPFGBHVHUFWGTI-VSGBNLITSA-N. The full InChI is InChI=1S/C34H34N4O2/c1-33(2,31-37-27(21-39-31)23-13-7-5-8-14-23)29-19-11-17-25(35-29)26-18-12-20-30(36-26)34(3,4)32-38-28(22-40-32)24-15-9-6-10-16-24/h5-20,27-28H,21-22H2,1-4H3/t27-,28-/m1/s1.

What are the key properties of (4S)-4-phenyl-2-[2-[6-[6-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-2-pyridinyl]-2-pyridinyl]propan-2-yl]-4,5-dihydro-1,3-oxazole?

(4S)-4-phenyl-2-[2-[6-[6-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-2-pyridinyl]-2-pyridinyl]propan-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 530.67 g/mol, XLogP of 7.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-phenyl-2-[2-[6-[6-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-2-pyridinyl]-2-pyridinyl]propan-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 101183979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).