(4S,5S)-5-phenyl-2-[[(4S,5S)-5-phenyl-4-phenylsulfanyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-phenylsulfanyl-4,5-dihydro-1,3-oxazole

C31H26N2O2S2 — CID 134991954

IUPAC(4S,5S)-5-phenyl-2-[[(4S,5S)-5-phenyl-4-phenylsulfanyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-phenylsulfanyl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(S[C@@H]2N=C(CC3=N[C@@H](Sc4ccccc4)[C@H](c4ccccc4)O3)O[C@H]2c2ccccc2)cc1
InChIInChI=1S/C31H26N2O2S2/c1-5-13-22(14-6-1)28-30(36-24-17-9-3-10-18-24)32-26(34-28)21-27-33-31(37-25-19-11-4-12-20-25)29(35-27)23-15-7-2-8-16-23/h1-20,28-31H,21H2/t28-,29-,30-,31-/m0/s1
InChIKeyKGVZXHCJPILSTO-ORYMTKCHSA-N
MW522.70 g/mol
LogP7.95
Rot. Bonds8

About (4S,5S)-5-phenyl-2-[[(4S,5S)-5-phenyl-4-phenylsulfanyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-phenylsulfanyl-4,5-dihydro-1,3-oxazole

(4S,5S)-5-phenyl-2-[[(4S,5S)-5-phenyl-4-phenylsulfanyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-phenylsulfanyl-4,5-dihydro-1,3-oxazole (PubChem CID 134991954) has the molecular formula C31H26N2O2S2 and a molecular weight of 522.70 g/mol. Its IUPAC name is (4S,5S)-5-phenyl-2-[[(4S,5S)-5-phenyl-4-phenylsulfanyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-phenylsulfanyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S,5S)-5-phenyl-2-[[(4S,5S)-5-phenyl-4-phenylsulfanyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-phenylsulfanyl-4,5-dihydro-1,3-oxazole
PubChem CID134991954
Molecular FormulaC31H26N2O2S2
Molecular Weight522.70 g/mol
Exact Mass522.14
IUPAC Name(4S,5S)-5-phenyl-2-[[(4S,5S)-5-phenyl-4-phenylsulfanyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-phenylsulfanyl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(S[C@@H]2N=C(CC3=N[C@@H](Sc4ccccc4)[C@H](c4ccccc4)O3)O[C@H]2c2ccccc2)cc1
InChIInChI=1S/C31H26N2O2S2/c1-5-13-22(14-6-1)28-30(36-24-17-9-3-10-18-24)32-26(34-28)21-27-33-31(37-25-19-11-4-12-20-25)29(35-27)23-15-7-2-8-16-23/h1-20,28-31H,21H2/t28-,29-,30-,31-/m0/s1
InChIKeyKGVZXHCJPILSTO-ORYMTKCHSA-N
XLogP7.95
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.70
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4S,5S)-5-phenyl-2-[[(4S,5S)-5-phenyl-4-phenylsulfanyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-phenylsulfanyl-4,5-dihydro-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-phenyl-2-[[(4S,5S)-5-phenyl-4-phenylsulfanyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-phenylsulfanyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S,5S)-5-phenyl-2-[[(4S,5S)-5-phenyl-4-phenylsulfanyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-phenylsulfanyl-4,5-dihydro-1,3-oxazole (CID 134991954) is (4S,5S)-5-phenyl-2-[[(4S,5S)-5-phenyl-4-phenylsulfanyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-phenylsulfanyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S,5S)-5-phenyl-2-[[(4S,5S)-5-phenyl-4-phenylsulfanyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-phenylsulfanyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S,5S)-5-phenyl-2-[[(4S,5S)-5-phenyl-4-phenylsulfanyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-phenylsulfanyl-4,5-dihydro-1,3-oxazole is c1ccc(S[C@@H]2N=C(CC3=N[C@@H](Sc4ccccc4)[C@H](c4ccccc4)O3)O[C@H]2c2ccccc2)cc1.
What is the InChIKey of (4S,5S)-5-phenyl-2-[[(4S,5S)-5-phenyl-4-phenylsulfanyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-phenylsulfanyl-4,5-dihydro-1,3-oxazole?
The InChIKey is KGVZXHCJPILSTO-ORYMTKCHSA-N. The full InChI is InChI=1S/C31H26N2O2S2/c1-5-13-22(14-6-1)28-30(36-24-17-9-3-10-18-24)32-26(34-28)21-27-33-31(37-25-19-11-4-12-20-25)29(35-27)23-15-7-2-8-16-23/h1-20,28-31H,21H2/t28-,29-,30-,31-/m0/s1.
What are the key properties of (4S,5S)-5-phenyl-2-[[(4S,5S)-5-phenyl-4-phenylsulfanyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-phenylsulfanyl-4,5-dihydro-1,3-oxazole?
(4S,5S)-5-phenyl-2-[[(4S,5S)-5-phenyl-4-phenylsulfanyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-phenylsulfanyl-4,5-dihydro-1,3-oxazole has a molecular weight of 522.70 g/mol, XLogP of 7.95, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-phenyl-2-[[(4S,5S)-5-phenyl-4-phenylsulfanyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-phenylsulfanyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 134991954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).