chloro-(5-methylsulfanyl-2-phenyl-1,3-oxazol-4-yl)-triphenyl-λ5-phosphane

C28H23ClNOPS — CID 134920872

IUPACchloro-(5-methylsulfanyl-2-phenyl-1,3-oxazol-4-yl)-triphenyl-λ5-phosphane
SMILESCSc1oc(-c2ccccc2)nc1P(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H23ClNOPS/c1-33-28-27(30-26(31-28)22-14-6-2-7-15-22)32(29,23-16-8-3-9-17-23,24-18-10-4-11-19-24)25-20-12-5-13-21-25/h2-21H,1H3
InChIKeyMGYPBMBKKMHNMC-UHFFFAOYSA-N
MW487.99 g/mol
LogP6.37
Rot. Bonds6

About chloro-(5-methylsulfanyl-2-phenyl-1,3-oxazol-4-yl)-triphenyl-λ5-phosphane

chloro-(5-methylsulfanyl-2-phenyl-1,3-oxazol-4-yl)-triphenyl-λ5-phosphane (PubChem CID 134920872) has the molecular formula C28H23ClNOPS and a molecular weight of 487.99 g/mol. Its IUPAC name is chloro-(5-methylsulfanyl-2-phenyl-1,3-oxazol-4-yl)-triphenyl-λ5-phosphane.

Molecular Properties

Compound Namechloro-(5-methylsulfanyl-2-phenyl-1,3-oxazol-4-yl)-triphenyl-λ5-phosphane
PubChem CID134920872
Molecular FormulaC28H23ClNOPS
Molecular Weight487.99 g/mol
Exact Mass487.09
IUPAC Namechloro-(5-methylsulfanyl-2-phenyl-1,3-oxazol-4-yl)-triphenyl-λ5-phosphane
SMILESCSc1oc(-c2ccccc2)nc1P(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H23ClNOPS/c1-33-28-27(30-26(31-28)22-14-6-2-7-15-22)32(29,23-16-8-3-9-17-23,24-18-10-4-11-19-24)25-20-12-5-13-21-25/h2-21H,1H3
InChIKeyMGYPBMBKKMHNMC-UHFFFAOYSA-N
XLogP6.37
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.99
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze chloro-(5-methylsulfanyl-2-phenyl-1,3-oxazol-4-yl)-triphenyl-λ5-phosphane 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 chloro-(5-methylsulfanyl-2-phenyl-1,3-oxazol-4-yl)-triphenyl-λ5-phosphane?
The IUPAC name of chloro-(5-methylsulfanyl-2-phenyl-1,3-oxazol-4-yl)-triphenyl-λ5-phosphane (CID 134920872) is chloro-(5-methylsulfanyl-2-phenyl-1,3-oxazol-4-yl)-triphenyl-λ5-phosphane.
What is the SMILES notation for chloro-(5-methylsulfanyl-2-phenyl-1,3-oxazol-4-yl)-triphenyl-λ5-phosphane?
The canonical SMILES for chloro-(5-methylsulfanyl-2-phenyl-1,3-oxazol-4-yl)-triphenyl-λ5-phosphane is CSc1oc(-c2ccccc2)nc1P(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of chloro-(5-methylsulfanyl-2-phenyl-1,3-oxazol-4-yl)-triphenyl-λ5-phosphane?
The InChIKey is MGYPBMBKKMHNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClNOPS/c1-33-28-27(30-26(31-28)22-14-6-2-7-15-22)32(29,23-16-8-3-9-17-23,24-18-10-4-11-19-24)25-20-12-5-13-21-25/h2-21H,1H3.
What are the key properties of chloro-(5-methylsulfanyl-2-phenyl-1,3-oxazol-4-yl)-triphenyl-λ5-phosphane?
chloro-(5-methylsulfanyl-2-phenyl-1,3-oxazol-4-yl)-triphenyl-λ5-phosphane has a molecular weight of 487.99 g/mol, XLogP of 6.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(5-methylsulfanyl-2-phenyl-1,3-oxazol-4-yl)-triphenyl-λ5-phosphane is sourced from PubChem (CID 134920872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).