3-phenyl-5-[(5-phenyl-1,2-oxazol-3-yl)methylsulfinylmethyl]-1,2-oxazole

C20H16N2O3S — CID 75402868

IUPAC3-phenyl-5-[(5-phenyl-1,2-oxazol-3-yl)methylsulfinylmethyl]-1,2-oxazole
SMILESO=S(Cc1cc(-c2ccccc2)on1)Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C20H16N2O3S/c23-26(13-17-11-20(25-21-17)16-9-5-2-6-10-16)14-18-12-19(22-24-18)15-7-3-1-4-8-15/h1-12H,13-14H2
InChIKeyMBJOEWYCZFUCIR-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.45
Rot. Bonds6

About 3-phenyl-5-[(5-phenyl-1,2-oxazol-3-yl)methylsulfinylmethyl]-1,2-oxazole

3-phenyl-5-[(5-phenyl-1,2-oxazol-3-yl)methylsulfinylmethyl]-1,2-oxazole (PubChem CID 75402868) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 3-phenyl-5-[(5-phenyl-1,2-oxazol-3-yl)methylsulfinylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-phenyl-5-[(5-phenyl-1,2-oxazol-3-yl)methylsulfinylmethyl]-1,2-oxazole
PubChem CID75402868
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name3-phenyl-5-[(5-phenyl-1,2-oxazol-3-yl)methylsulfinylmethyl]-1,2-oxazole
SMILESO=S(Cc1cc(-c2ccccc2)on1)Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C20H16N2O3S/c23-26(13-17-11-20(25-21-17)16-9-5-2-6-10-16)14-18-12-19(22-24-18)15-7-3-1-4-8-15/h1-12H,13-14H2
InChIKeyMBJOEWYCZFUCIR-UHFFFAOYSA-N
XLogP4.45
TPSA69.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-phenyl-1,2-oxazole
CID 95317780
3-[[(S)-(4-fluorophenyl)methylsulfinyl]methyl]-5-phenyl-1,2-oxazole
CID 95571856
3-[(2-methylphenyl)methylsulfinylmethyl]-5-phenyl-1,2-oxazole
CID 86923060
(3-phenyl-1,2-oxazol-5-yl)methanesulfinic acid
CID 165450453
5-phenyl-3-pyridin-4-yl-1,2-oxazole
CID 5112426
3-(5-phenyl-1,2-oxazol-3-yl)propanoic acid
CID 53414694
N,N-dimethyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
CID 15761396
5-(phenoxymethyl)-3-phenyl-1,2-oxazole
CID 1480808
[4-(5-phenyl-1,2-oxazol-3-yl)phenyl] benzoate
CID 144750288
4-(3-phenyl-1,2-oxazol-5-yl)butanoic acid
CID 102036434
sodium [3-(4-methylphenyl)-1,2-oxazol-5-yl]methanesulfinate
CID 165455866
2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866545

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[(5-phenyl-1,2-oxazol-3-yl)methylsulfinylmethyl]-1,2-oxazole?
The IUPAC name of 3-phenyl-5-[(5-phenyl-1,2-oxazol-3-yl)methylsulfinylmethyl]-1,2-oxazole (CID 75402868) is 3-phenyl-5-[(5-phenyl-1,2-oxazol-3-yl)methylsulfinylmethyl]-1,2-oxazole.
What is the SMILES notation for 3-phenyl-5-[(5-phenyl-1,2-oxazol-3-yl)methylsulfinylmethyl]-1,2-oxazole?
The canonical SMILES for 3-phenyl-5-[(5-phenyl-1,2-oxazol-3-yl)methylsulfinylmethyl]-1,2-oxazole is O=S(Cc1cc(-c2ccccc2)on1)Cc1cc(-c2ccccc2)no1.
What is the InChIKey of 3-phenyl-5-[(5-phenyl-1,2-oxazol-3-yl)methylsulfinylmethyl]-1,2-oxazole?
The InChIKey is MBJOEWYCZFUCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c23-26(13-17-11-20(25-21-17)16-9-5-2-6-10-16)14-18-12-19(22-24-18)15-7-3-1-4-8-15/h1-12H,13-14H2.
What are the key properties of 3-phenyl-5-[(5-phenyl-1,2-oxazol-3-yl)methylsulfinylmethyl]-1,2-oxazole?
3-phenyl-5-[(5-phenyl-1,2-oxazol-3-yl)methylsulfinylmethyl]-1,2-oxazole has a molecular weight of 364.43 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[(5-phenyl-1,2-oxazol-3-yl)methylsulfinylmethyl]-1,2-oxazole is sourced from PubChem (CID 75402868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).