5-phenyl-3-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole

C19H15N3OS — CID 71898773

IUPAC5-phenyl-3-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole
SMILESc1ccc(-c2cc(CSc3nccn3-c3ccccc3)no2)cc1
InChIInChI=1S/C19H15N3OS/c1-3-7-15(8-4-1)18-13-16(21-23-18)14-24-19-20-11-12-22(19)17-9-5-2-6-10-17/h1-13H,14H2
InChIKeyCLXWHIJITXXTDU-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.82
Rot. Bonds5

About 5-phenyl-3-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole

5-phenyl-3-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole (PubChem CID 71898773) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 5-phenyl-3-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name5-phenyl-3-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole
PubChem CID71898773
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name5-phenyl-3-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole
SMILESc1ccc(-c2cc(CSc3nccn3-c3ccccc3)no2)cc1
InChIInChI=1S/C19H15N3OS/c1-3-7-15(8-4-1)18-13-16(21-23-18)14-24-19-20-11-12-22(19)17-9-5-2-6-10-17/h1-13H,14H2
InChIKeyCLXWHIJITXXTDU-UHFFFAOYSA-N
XLogP4.82
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole?
The IUPAC name of 5-phenyl-3-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole (CID 71898773) is 5-phenyl-3-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole.
What is the SMILES notation for 5-phenyl-3-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole?
The canonical SMILES for 5-phenyl-3-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole is c1ccc(-c2cc(CSc3nccn3-c3ccccc3)no2)cc1.
What is the InChIKey of 5-phenyl-3-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole?
The InChIKey is CLXWHIJITXXTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-3-7-15(8-4-1)18-13-16(21-23-18)14-24-19-20-11-12-22(19)17-9-5-2-6-10-17/h1-13H,14H2.
What are the key properties of 5-phenyl-3-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole?
5-phenyl-3-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole has a molecular weight of 333.42 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole is sourced from PubChem (CID 71898773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).