(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

C23H26N2O2S2 — CID 10764921

IUPAC(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
SMILESCSC[C@@H]1N=C(CC2=N[C@@H](CSC)[C@H](c3ccccc3)O2)O[C@H]1c1ccccc1
InChIInChI=1S/C23H26N2O2S2/c1-28-14-18-22(16-9-5-3-6-10-16)26-20(24-18)13-21-25-19(15-29-2)23(27-21)17-11-7-4-8-12-17/h3-12,18-19,22-23H,13-15H2,1-2H3/t18-,19-,22-,23-/m0/s1
InChIKeyGSPNUXAANNSPCZ-ZZTDLJEGSA-N
MW426.61 g/mol
LogP5.18
Rot. Bonds8

About (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

(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 (PubChem CID 10764921) has the molecular formula C23H26N2O2S2 and a molecular weight of 426.61 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID10764921
Molecular FormulaC23H26N2O2S2
Molecular Weight426.61 g/mol
Exact Mass426.14
IUPAC Name(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
SMILESCSC[C@@H]1N=C(CC2=N[C@@H](CSC)[C@H](c3ccccc3)O2)O[C@H]1c1ccccc1
InChIInChI=1S/C23H26N2O2S2/c1-28-14-18-22(16-9-5-3-6-10-16)26-20(24-18)13-21-25-19(15-29-2)23(27-21)17-11-7-4-8-12-17/h3-12,18-19,22-23H,13-15H2,1-2H3/t18-,19-,22-,23-/m0/s1
InChIKeyGSPNUXAANNSPCZ-ZZTDLJEGSA-N
XLogP5.18
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.61
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

2-Ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole
CID 12755427
(-)-2,2-Bis[(4s,5s)-4-hydroxymethyl-5-phenyl-1,3-oxazolin-2-yl]propane
CID 10715639
(4S,5S)-2-ethyl-4-methoxymethyl-5-phenyl-2-oxazoline
CID 10932944
(4R,5S)-4-methyl-2-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole
CID 134904827
(4S,5R)-4-(Fluoromethyl)-5-[4-(methylthio)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazole
CID 11001103
4-(Fluoromethyl)-5-(4-methylsulfanylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole
CID 14597701
2-Benzyl-4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole
CID 23374804
(4S,5R)-4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-2-(2-propan-2-yloxyethyl)-4,5-dihydro-1,3-oxazole
CID 57305742
(4S,5S)-4-(methoxymethyl)-2-methyl-5-(4-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole
CID 11470738
Oxazole, 4,5-dihydro-4-methyl-2,5-diphenyl-, (4S,5R)-
CID 10823790
2-[(1R,2R)-2-azido-2-phenyl-1-phenylmethoxyethyl]-1,3-dithiolane
CID 11111090
(4S,5S)-4-(methoxymethyl)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole
CID 73293281

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CSC[C@@H]1N=C(CC2=N[C@@H](CSC)[C@H](c3ccccc3)O2)O[C@H]1c1ccccc1.
What is the InChIKey of (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?
The InChIKey is GSPNUXAANNSPCZ-ZZTDLJEGSA-N. The full InChI is InChI=1S/C23H26N2O2S2/c1-28-14-18-22(16-9-5-3-6-10-16)26-20(24-18)13-21-25-19(15-29-2)23(27-21)17-11-7-4-8-12-17/h3-12,18-19,22-23H,13-15H2,1-2H3/t18-,19-,22-,23-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 426.61 g/mol, XLogP of 5.18, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 10764921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).