1-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine;1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine

C52H50N6O4 — CID 160545550

About 1-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine;1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine

1-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine;1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine (PubChem CID 160545550) has the molecular formula C52H50N6O4 and a molecular weight of 823.01 g/mol. Its IUPAC name is 1-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine;1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine.

Molecular Properties

• Compound Name: 1-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine;1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine
• PubChem CID: 160545550
• Molecular Formula: C52H50N6O4
• Molecular Weight: 823.01 g/mol
• Exact Mass: 822.39
• IUPAC Name: 1-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine;1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine
• SMILES: c1ccc([C@H]2COC(CNCC3=N[C@@H](c4ccccc4)CO3)=N2)cc1.c1ccc([C@H]2N=C(CNCC3=N[C@H](c4ccccc4)[C@H](c4ccccc4)O3)O[C@H]2c2ccccc2)cc1
• InChI: InChI=1S/C32H29N3O2.C20H21N3O2/c1-5-13-23(14-6-1)29-31(25-17-9-3-10-18-25)36-27(34-29)21-33-22-28-35-30(24-15-7-2-8-16-24)32(37-28)26-19-11-4-12-20-26;1-3-7-15(8-4-1)17-13-24-19(22-17)11-21-12-20-23-18(14-25-20)16-9-5-2-6-10-16/h1-20,29-33H,21-22H2;1-10,17-18,21H,11-14H2/t29-,30-,31+,32+;17-,18-/m11/s1
• InChIKey: QXJNUWSLUTULNP-CYQRPHTASA-N
• XLogP: 9.31
• TPSA: 110.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	823.01
LogP ≤ 5	9.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine;1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine?

The IUPAC name of 1-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine;1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine (CID 160545550) is 1-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine;1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine.

What is the SMILES notation for 1-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine;1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine?

The canonical SMILES for 1-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine;1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine is c1ccc([C@H]2COC(CNCC3=N[C@@H](c4ccccc4)CO3)=N2)cc1.c1ccc([C@H]2N=C(CNCC3=N[C@H](c4ccccc4)[C@H](c4ccccc4)O3)O[C@H]2c2ccccc2)cc1.

What is the InChIKey of 1-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine;1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine?

The InChIKey is QXJNUWSLUTULNP-CYQRPHTASA-N. The full InChI is InChI=1S/C32H29N3O2.C20H21N3O2/c1-5-13-23(14-6-1)29-31(25-17-9-3-10-18-25)36-27(34-29)21-33-22-28-35-30(24-15-7-2-8-16-24)32(37-28)26-19-11-4-12-20-26;1-3-7-15(8-4-1)17-13-24-19(22-17)11-21-12-20-23-18(14-25-20)16-9-5-2-6-10-16/h1-20,29-33H,21-22H2;1-10,17-18,21H,11-14H2/t29-,30-,31+,32+;17-,18-/m11/s1.

What are the key properties of 1-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine;1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine?

1-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine;1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine has a molecular weight of 823.01 g/mol, XLogP of 9.31, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine;1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine is sourced from PubChem (CID 160545550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).