(4S,5R)-2,4-diphenyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole

C22H19NOS — CID 135025928

IUPAC(4S,5R)-2,4-diphenyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc(SC[C@@H]2OC(c3ccccc3)=N[C@H]2c2ccccc2)cc1
InChIInChI=1S/C22H19NOS/c1-4-10-17(11-5-1)21-20(16-25-19-14-8-3-9-15-19)24-22(23-21)18-12-6-2-7-13-18/h1-15,20-21H,16H2/t20-,21-/m0/s1
InChIKeyWUSDYWDTQNXYIJ-SFTDATJTSA-N
MW345.47 g/mol
LogP5.37
Rot. Bonds5

About (4S,5R)-2,4-diphenyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole

(4S,5R)-2,4-diphenyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 135025928) has the molecular formula C22H19NOS and a molecular weight of 345.47 g/mol. Its IUPAC name is (4S,5R)-2,4-diphenyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S,5R)-2,4-diphenyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole
PubChem CID135025928
Molecular FormulaC22H19NOS
Molecular Weight345.47 g/mol
Exact Mass345.12
IUPAC Name(4S,5R)-2,4-diphenyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc(SC[C@@H]2OC(c3ccccc3)=N[C@H]2c2ccccc2)cc1
InChIInChI=1S/C22H19NOS/c1-4-10-17(11-5-1)21-20(16-25-19-14-8-3-9-15-19)24-22(23-21)18-12-6-2-7-13-18/h1-15,20-21H,16H2/t20-,21-/m0/s1
InChIKeyWUSDYWDTQNXYIJ-SFTDATJTSA-N
XLogP5.37
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.47
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Phenyl-2-thien-2-yl-4,5-dihydro-1,3-oxazole
CID 3242466
2-(2,6-Difluorophenyl)-4-(4-nonylsulfanylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007824
2-(2-Methylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 14853174
2-(2-Ethylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 14853176
(4S,5S)-2-Biphenyl-4-yl-4-phenylsulfanyl-5-vinyl-4,5-dihydro-oxazole
CID 44394765
(4S,5S)-4-Phenylsulfanyl-2-p-tolyl-5-vinyl-4,5-dihydro-oxazole
CID 44394797
2-(2,6-Difluorophenyl)-4-(4-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole
CID 76308808
2-(2,6-Difluorophenyl)-4,5-dihydro-4-[4-[(1-methylethyl)thio]phenyl]oxazole
CID 76319747
(4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 44550907
(4R,5R)-2-(2-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 101797567
(4R,5R)-2-(3-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 101797569
(4S)-2-[2-[(R)-(4-tert-butylphenyl)sulfinyl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 134959829

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2,4-diphenyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S,5R)-2,4-diphenyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole (CID 135025928) is (4S,5R)-2,4-diphenyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S,5R)-2,4-diphenyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S,5R)-2,4-diphenyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole is c1ccc(SC[C@@H]2OC(c3ccccc3)=N[C@H]2c2ccccc2)cc1.
What is the InChIKey of (4S,5R)-2,4-diphenyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is WUSDYWDTQNXYIJ-SFTDATJTSA-N. The full InChI is InChI=1S/C22H19NOS/c1-4-10-17(11-5-1)21-20(16-25-19-14-8-3-9-15-19)24-22(23-21)18-12-6-2-7-13-18/h1-15,20-21H,16H2/t20-,21-/m0/s1.
What are the key properties of (4S,5R)-2,4-diphenyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole?
(4S,5R)-2,4-diphenyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 345.47 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2,4-diphenyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 135025928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).