(4R,5R)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;(4R,5R)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;[4-[4-[5-[3-(4-fluorophenyl)-3-hydroxypropyl]-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-yl]-3-hydroxyphenyl]phenyl]phosphonic acid

C120H105F4N4O18PS4 — CID 160710257

About (4R,5R)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;(4R,5R)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;[4-[4-[5-[3-(4-fluorophenyl)-3-hydroxypropyl]-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-yl]-3-hydroxyphenyl]phenyl]phosphonic acid

(4R,5R)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;(4R,5R)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;[4-[4-[5-[3-(4-fluorophenyl)-3-hydroxypropyl]-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-yl]-3-hydroxyphenyl]phenyl]phosphonic acid (PubChem CID 160710257) has the molecular formula C120H105F4N4O18PS4 and a molecular weight of 2126.40 g/mol. Its IUPAC name is (4R,5R)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;(4R,5R)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;[4-[4-[5-[3-(4-fluorophenyl)-3-hydroxypropyl]-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-yl]-3-hydroxyphenyl]phenyl]phosphonic acid.

Molecular Properties

• Compound Name: (4R,5R)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;(4R,5R)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;[4-[4-[5-[3-(4-fluorophenyl)-3-hydroxypropyl]-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-yl]-3-hydroxyphenyl]phenyl]phosphonic acid
• PubChem CID: 160710257
• Molecular Formula: C120H105F4N4O18PS4
• Molecular Weight: 2126.40 g/mol
• Exact Mass: 2124.60
• IUPAC Name: (4R,5R)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;(4R,5R)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;[4-[4-[5-[3-(4-fluorophenyl)-3-hydroxypropyl]-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-yl]-3-hydroxyphenyl]phenyl]phosphonic acid
• SMILES: O=P(O)(O)c1ccc(-c2ccc(C3C(CCC(O)c4ccc(F)cc4)OC(=S)N3c3ccccc3)c(O)c2)cc1.Oc1cccc(-c2ccc(C3C(CCC(O)c4ccc(F)cc4)OC(=S)N3c3ccccc3)c(O)c2)c1.Oc1cccc(-c2ccc([C@@H]3[C@@H](CCC(O)c4ccc(F)cc4)OC(=S)N3c3ccccc3)c(O)c2)c1.Oc1cccc(-c2ccc([C@@H]3[C@@H](CC[C@H](O)c4ccc(F)cc4)OC(=S)N3c3ccccc3)c(O)c2)c1
• InChI: InChI=1S/C30H27FNO6PS.3C30H26FNO4S/c31-22-11-6-20(7-12-22)26(33)16-17-28-29(32(30(40)38-28)23-4-2-1-3-5-23)25-15-10-21(18-27(25)34)19-8-13-24(14-9-19)39(35,36)37;3*31-22-12-9-19(10-13-22)26(34)15-16-28-29(32(30(37)36-28)23-6-2-1-3-7-23)25-14-11-21(18-27(25)35)20-5-4-8-24(33)17-20/h1-15,18,26,28-29,33-34H,16-17H2,(H2,35,36,37);3*1-14,17-18,26,28-29,33-35H,15-16H2/t;26?,28-,29-;26-,28+,29+;/m.10./s1
• InChIKey: RRTMBXKKGMRYSU-BHWAOMKVSA-N
• XLogP: 25.69
• TPSA: 329.94 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 20
• Rotatable Bonds: 29
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2126.40
LogP ≤ 5	25.69
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;(4R,5R)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;[4-[4-[5-[3-(4-fluorophenyl)-3-hydroxypropyl]-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-yl]-3-hydroxyphenyl]phenyl]phosphonic acid?

The IUPAC name of (4R,5R)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;(4R,5R)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;[4-[4-[5-[3-(4-fluorophenyl)-3-hydroxypropyl]-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-yl]-3-hydroxyphenyl]phenyl]phosphonic acid (CID 160710257) is (4R,5R)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;(4R,5R)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;[4-[4-[5-[3-(4-fluorophenyl)-3-hydroxypropyl]-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-yl]-3-hydroxyphenyl]phenyl]phosphonic acid.

What is the SMILES notation for (4R,5R)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;(4R,5R)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;[4-[4-[5-[3-(4-fluorophenyl)-3-hydroxypropyl]-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-yl]-3-hydroxyphenyl]phenyl]phosphonic acid?

The canonical SMILES for (4R,5R)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;(4R,5R)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;[4-[4-[5-[3-(4-fluorophenyl)-3-hydroxypropyl]-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-yl]-3-hydroxyphenyl]phenyl]phosphonic acid is O=P(O)(O)c1ccc(-c2ccc(C3C(CCC(O)c4ccc(F)cc4)OC(=S)N3c3ccccc3)c(O)c2)cc1.Oc1cccc(-c2ccc(C3C(CCC(O)c4ccc(F)cc4)OC(=S)N3c3ccccc3)c(O)c2)c1.Oc1cccc(-c2ccc([C@@H]3[C@@H](CCC(O)c4ccc(F)cc4)OC(=S)N3c3ccccc3)c(O)c2)c1.Oc1cccc(-c2ccc([C@@H]3[C@@H](CC[C@H](O)c4ccc(F)cc4)OC(=S)N3c3ccccc3)c(O)c2)c1.

What is the InChIKey of (4R,5R)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;(4R,5R)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;[4-[4-[5-[3-(4-fluorophenyl)-3-hydroxypropyl]-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-yl]-3-hydroxyphenyl]phenyl]phosphonic acid?

The InChIKey is RRTMBXKKGMRYSU-BHWAOMKVSA-N. The full InChI is InChI=1S/C30H27FNO6PS.3C30H26FNO4S/c31-22-11-6-20(7-12-22)26(33)16-17-28-29(32(30(40)38-28)23-4-2-1-3-5-23)25-15-10-21(18-27(25)34)19-8-13-24(14-9-19)39(35,36)37;3*31-22-12-9-19(10-13-22)26(34)15-16-28-29(32(30(37)36-28)23-6-2-1-3-7-23)25-14-11-21(18-27(25)35)20-5-4-8-24(33)17-20/h1-15,18,26,28-29,33-34H,16-17H2,(H2,35,36,37);3*1-14,17-18,26,28-29,33-35H,15-16H2/t;26?,28-,29-;26-,28+,29+;/m.10./s1.

What are the key properties of (4R,5R)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;(4R,5R)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;[4-[4-[5-[3-(4-fluorophenyl)-3-hydroxypropyl]-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-yl]-3-hydroxyphenyl]phenyl]phosphonic acid?

(4R,5R)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;(4R,5R)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;[4-[4-[5-[3-(4-fluorophenyl)-3-hydroxypropyl]-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-yl]-3-hydroxyphenyl]phenyl]phosphonic acid has a molecular weight of 2126.40 g/mol, XLogP of 25.69, 29 rotatable bonds, 13 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5R)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;(4R,5R)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-3-phenyl-1,3-oxazolidine-2-thione;[4-[4-[5-[3-(4-fluorophenyl)-3-hydroxypropyl]-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-yl]-3-hydroxyphenyl]phenyl]phosphonic acid is sourced from PubChem (CID 160710257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).