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

C35H34N2O2S2 — CID 10603299

IUPAC(4R,5S)-5-phenyl-2-[2-[(4R,5S)-5-phenyl-4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C1=N[C@@H](CSc2ccccc2)[C@H](c2ccccc2)O1)C1=N[C@@H](CSc2ccccc2)[C@H](c2ccccc2)O1
InChIInChI=1S/C35H34N2O2S2/c1-35(2,33-36-29(23-40-27-19-11-5-12-20-27)31(38-33)25-15-7-3-8-16-25)34-37-30(24-41-28-21-13-6-14-22-28)32(39-34)26-17-9-4-10-18-26/h3-22,29-32H,23-24H2,1-2H3/t29-,30-,31-,32-/m0/s1
InChIKeyOGDGXLXVTXVEBL-YDPTYEFTSA-N
MW578.80 g/mol
LogP8.67
Rot. Bonds10

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

(4R,5S)-5-phenyl-2-[2-[(4R,5S)-5-phenyl-4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 10603299) has the molecular formula C35H34N2O2S2 and a molecular weight of 578.80 g/mol. Its IUPAC name is (4R,5S)-5-phenyl-2-[2-[(4R,5S)-5-phenyl-4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R,5S)-5-phenyl-2-[2-[(4R,5S)-5-phenyl-4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole
PubChem CID10603299
Molecular FormulaC35H34N2O2S2
Molecular Weight578.80 g/mol
Exact Mass578.21
IUPAC Name(4R,5S)-5-phenyl-2-[2-[(4R,5S)-5-phenyl-4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C1=N[C@@H](CSc2ccccc2)[C@H](c2ccccc2)O1)C1=N[C@@H](CSc2ccccc2)[C@H](c2ccccc2)O1
InChIInChI=1S/C35H34N2O2S2/c1-35(2,33-36-29(23-40-27-19-11-5-12-20-27)31(38-33)25-15-7-3-8-16-25)34-37-30(24-41-28-21-13-6-14-22-28)32(39-34)26-17-9-4-10-18-26/h3-22,29-32H,23-24H2,1-2H3/t29-,30-,31-,32-/m0/s1
InChIKeyOGDGXLXVTXVEBL-YDPTYEFTSA-N
XLogP8.67
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.80
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis(4,5-dihydro-4,5-diphenyloxazole)
CID 15358971
(4R,4'R,5R,5'R)-2,2'-(Propane-2,2-diyl)bis(4,5-diphenyl-4,5-dihydrooxazole)
CID 10972956
(4S,4'S,5R,5'R)-2,2'-(1-Methylethylidene)bis[4,5-dihydro-4,5-diphenyloxazole
CID 24866049
(4S,4'S,5S,5'S)-2,2'-(1-Methylethylidene)bis(4,5-dihydro-4,5-diphenyloxazole)
CID 46201488
(4S,5S)-2,4-diphenyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole
CID 132558214
(4R,5S)-2-[2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 134952603
(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
(4S,5R)-2,4-diphenyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole
CID 135025928
4-Methoxymethyl-5-phenyl-2-(1-phenylthio-ethyl)-4,5-dihydro-oxazole
CID 586174
(4R,5S)-4-(methylsulfanylmethyl)-2-[2-[(4R,5S)-4-(methylsulfanylmethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole
CID 10575714
(4R,5S)-4-(methylsulfanylmethyl)-2-[[(4R,5S)-4-(methylsulfanylmethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-5-phenyl-4,5-dihydro-1,3-oxazole
CID 10764921
(4S,5S)-4-(methoxymethyl)-5-(4-methylsulfanylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole
CID 11162788

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-phenyl-2-[2-[(4R,5S)-5-phenyl-4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R,5S)-5-phenyl-2-[2-[(4R,5S)-5-phenyl-4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole (CID 10603299) is (4R,5S)-5-phenyl-2-[2-[(4R,5S)-5-phenyl-4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R,5S)-5-phenyl-2-[2-[(4R,5S)-5-phenyl-4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R,5S)-5-phenyl-2-[2-[(4R,5S)-5-phenyl-4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole is CC(C)(C1=N[C@@H](CSc2ccccc2)[C@H](c2ccccc2)O1)C1=N[C@@H](CSc2ccccc2)[C@H](c2ccccc2)O1.
What is the InChIKey of (4R,5S)-5-phenyl-2-[2-[(4R,5S)-5-phenyl-4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is OGDGXLXVTXVEBL-YDPTYEFTSA-N. The full InChI is InChI=1S/C35H34N2O2S2/c1-35(2,33-36-29(23-40-27-19-11-5-12-20-27)31(38-33)25-15-7-3-8-16-25)34-37-30(24-41-28-21-13-6-14-22-28)32(39-34)26-17-9-4-10-18-26/h3-22,29-32H,23-24H2,1-2H3/t29-,30-,31-,32-/m0/s1.
What are the key properties of (4R,5S)-5-phenyl-2-[2-[(4R,5S)-5-phenyl-4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole?
(4R,5S)-5-phenyl-2-[2-[(4R,5S)-5-phenyl-4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 578.80 g/mol, XLogP of 8.67, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-phenyl-2-[2-[(4R,5S)-5-phenyl-4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10603299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).