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

C20H20N2O2S — CID 59919099

IUPAC(4R)-4-phenyl-2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylsulfanylmethyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@@H]2COC(CSCC3=N[C@@H](c4ccccc4)CO3)=N2)cc1
InChIInChI=1S/C20H20N2O2S/c1-3-7-15(8-4-1)17-11-23-19(21-17)13-25-14-20-22-18(12-24-20)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-,18+
InChIKeyROJQLHTWNXRIKC-HDICACEKSA-N
MW352.46 g/mol
LogP4.06
Rot. Bonds6

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

(4R)-4-phenyl-2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylsulfanylmethyl]-4,5-dihydro-1,3-oxazole (PubChem CID 59919099) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is (4R)-4-phenyl-2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylsulfanylmethyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-phenyl-2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylsulfanylmethyl]-4,5-dihydro-1,3-oxazole
PubChem CID59919099
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name(4R)-4-phenyl-2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylsulfanylmethyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@@H]2COC(CSCC3=N[C@@H](c4ccccc4)CO3)=N2)cc1
InChIInChI=1S/C20H20N2O2S/c1-3-7-15(8-4-1)17-11-23-19(21-17)13-25-14-20-22-18(12-24-20)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-,18+
InChIKeyROJQLHTWNXRIKC-HDICACEKSA-N
XLogP4.06
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S,S)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
CID 676388
Ph-box, (R,R)-
CID 676390
(S,S)-2,2'-Methylenebis(4-phenyl-2-oxazoline)
CID 736684
2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 3957686
(4S,4'S)-2,2'-(Cyclopropane-1,1-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 10496806
(4S,5R)-5-methyl-2-[2-[(4S,5R)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 10546604
2,2'-Methylenebis((4S)-4-benzyl-4,5-dihydro-2-oxazole)
CID 11028000
(4S,4'S)-2,2'-(Pentane-3,3-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 11365135
(4S,4'S)-4,4',5,5'-Tetrahydro-4,4'-diphenyl-2,2'-bioxazole
CID 15936784
(4S,4'S)-2,2'-Propylidenebis[4,5-dihydro-4-phenyloxazole]
CID 56982768
(r)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
CID 57348696
2,2-Bis((R)-4-phenyl-4,5-dihydrooxazol-2-yl)acetonitrile
CID 58936984

Frequently Asked Questions

What is the IUPAC name of (4R)-4-phenyl-2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylsulfanylmethyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-phenyl-2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylsulfanylmethyl]-4,5-dihydro-1,3-oxazole (CID 59919099) is (4R)-4-phenyl-2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylsulfanylmethyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-phenyl-2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylsulfanylmethyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-phenyl-2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylsulfanylmethyl]-4,5-dihydro-1,3-oxazole is c1ccc([C@@H]2COC(CSCC3=N[C@@H](c4ccccc4)CO3)=N2)cc1.
What is the InChIKey of (4R)-4-phenyl-2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylsulfanylmethyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is ROJQLHTWNXRIKC-HDICACEKSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-3-7-15(8-4-1)17-11-23-19(21-17)13-25-14-20-22-18(12-24-20)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-,18+.
What are the key properties of (4R)-4-phenyl-2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylsulfanylmethyl]-4,5-dihydro-1,3-oxazole?
(4R)-4-phenyl-2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylsulfanylmethyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 352.46 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-phenyl-2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylsulfanylmethyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 59919099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).