4,5-diphenyl-3H-1,3-oxazole-2-thione

C15H11NOS — CID 853676

IUPAC4,5-diphenyl-3H-1,3-oxazole-2-thione
SMILESS=c1[nH]c(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C15H11NOS/c18-15-16-13(11-7-3-1-4-8-11)14(17-15)12-9-5-2-6-10-12/h1-10H,(H,16,18)
InChIKeyNYQSTRUSYDZNHC-UHFFFAOYSA-N
MW253.33 g/mol
LogP4.67
Rot. Bonds2

About 4,5-diphenyl-3H-1,3-oxazole-2-thione

4,5-diphenyl-3H-1,3-oxazole-2-thione (PubChem CID 853676) has the molecular formula C15H11NOS and a molecular weight of 253.33 g/mol. Its IUPAC name is 4,5-diphenyl-3H-1,3-oxazole-2-thione.

Molecular Properties

Compound Name4,5-diphenyl-3H-1,3-oxazole-2-thione
PubChem CID853676
Molecular FormulaC15H11NOS
Molecular Weight253.33 g/mol
Exact Mass253.06
IUPAC Name4,5-diphenyl-3H-1,3-oxazole-2-thione
SMILESS=c1[nH]c(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C15H11NOS/c18-15-16-13(11-7-3-1-4-8-11)14(17-15)12-9-5-2-6-10-12/h1-10H,(H,16,18)
InChIKeyNYQSTRUSYDZNHC-UHFFFAOYSA-N
XLogP4.67
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 151245
CID 151245
CID 178336430
CID 178336430
CID 57114286
CID 57114286
CID 21408364
CID 21408364
CID 21408484
CID 21408484
CID 21408566
CID 21408566
CID 21408858
CID 21408858
CID 21408883
CID 21408883
CID 21408915
CID 21408915
CID 21563656
CID 21563656
CID 53770096
CID 53770096
CID 53910011
CID 53910011

Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-3H-1,3-oxazole-2-thione?
The IUPAC name of 4,5-diphenyl-3H-1,3-oxazole-2-thione (CID 853676) is 4,5-diphenyl-3H-1,3-oxazole-2-thione.
What is the SMILES notation for 4,5-diphenyl-3H-1,3-oxazole-2-thione?
The canonical SMILES for 4,5-diphenyl-3H-1,3-oxazole-2-thione is S=c1[nH]c(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 4,5-diphenyl-3H-1,3-oxazole-2-thione?
The InChIKey is NYQSTRUSYDZNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NOS/c18-15-16-13(11-7-3-1-4-8-11)14(17-15)12-9-5-2-6-10-12/h1-10H,(H,16,18).
What are the key properties of 4,5-diphenyl-3H-1,3-oxazole-2-thione?
4,5-diphenyl-3H-1,3-oxazole-2-thione has a molecular weight of 253.33 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-3H-1,3-oxazole-2-thione is sourced from PubChem (CID 853676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).