4-phenyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole

C15H13NOS — CID 132508767

IUPAC4-phenyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(SC2=NC(c3ccccc3)CO2)cc1
InChIInChI=1S/C15H13NOS/c1-3-7-12(8-4-1)14-11-17-15(16-14)18-13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyGABSLCQYASIBOA-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.91
Rot. Bonds2

About 4-phenyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole

4-phenyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole (PubChem CID 132508767) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-phenyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-phenyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole
PubChem CID132508767
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name4-phenyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(SC2=NC(c3ccccc3)CO2)cc1
InChIInChI=1S/C15H13NOS/c1-3-7-12(8-4-1)14-11-17-15(16-14)18-13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyGABSLCQYASIBOA-UHFFFAOYSA-N
XLogP3.91
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(4-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1,3-oxazole
CID 166717705
(4S)-4-(2-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1,3-oxazole
CID 169797769
(6R)-6-methyl-4-phenyl-2-phenylsulfanyl-5,6-dihydro-4H-1,3-oxazine
CID 138975380
2-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]benzenethiol
CID 57683692
4-(4-Methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole
CID 70960205
4-phenyl-4H-1,3-oxazole-5-thione
CID 173257979
(4S)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 10957532
(4S)-2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 11056095
(4S)-2-[2-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 11110235
(4R)-2-[(E)-4-bromobut-2-enyl]sulfanyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 11426941
(4S)-2-(methylsulfanylmethyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 15643573
4-(4-Methylsulfanylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 65586799

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-phenyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole (CID 132508767) is 4-phenyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-phenyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-phenyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole is c1ccc(SC2=NC(c3ccccc3)CO2)cc1.
What is the InChIKey of 4-phenyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole?
The InChIKey is GABSLCQYASIBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c1-3-7-12(8-4-1)14-11-17-15(16-14)18-13-9-5-2-6-10-13/h1-10,14H,11H2.
What are the key properties of 4-phenyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole?
4-phenyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole has a molecular weight of 255.34 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 132508767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).