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

C15H13NOS — CID 132523730

IUPAC2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(SC2CN=C(c3ccccc3)O2)cc1
InChIInChI=1S/C15H13NOS/c1-3-7-12(8-4-1)15-16-11-14(17-15)18-13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyANLXPWWLKBQYAW-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.58
Rot. Bonds3

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

2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole (PubChem CID 132523730) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole
PubChem CID132523730
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(SC2CN=C(c3ccccc3)O2)cc1
InChIInChI=1S/C15H13NOS/c1-3-7-12(8-4-1)15-16-11-14(17-15)18-13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyANLXPWWLKBQYAW-UHFFFAOYSA-N
XLogP3.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-phenyl-5-phenylsulfanyl-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

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole (CID 132523730) is 2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole is c1ccc(SC2CN=C(c3ccccc3)O2)cc1.
What is the InChIKey of 2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole?
The InChIKey is ANLXPWWLKBQYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c1-3-7-12(8-4-1)15-16-11-14(17-15)18-13-9-5-2-6-10-13/h1-10,14H,11H2.
What are the key properties of 2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole?
2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole has a molecular weight of 255.34 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 132523730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).