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

C18H17NO2S — CID 86923060

IUPAC3-[(2-methylphenyl)methylsulfinylmethyl]-5-phenyl-1,2-oxazole
SMILESCc1ccccc1CS(=O)Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C18H17NO2S/c1-14-7-5-6-10-16(14)12-22(20)13-17-11-18(21-19-17)15-8-3-2-4-9-15/h2-11H,12-13H2,1H3
InChIKeyDKYPMSYZQIJPAH-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.10
Rot. Bonds5

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

3-[(2-methylphenyl)methylsulfinylmethyl]-5-phenyl-1,2-oxazole (PubChem CID 86923060) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methylsulfinylmethyl]-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(2-methylphenyl)methylsulfinylmethyl]-5-phenyl-1,2-oxazole
PubChem CID86923060
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC Name3-[(2-methylphenyl)methylsulfinylmethyl]-5-phenyl-1,2-oxazole
SMILESCc1ccccc1CS(=O)Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C18H17NO2S/c1-14-7-5-6-10-16(14)12-22(20)13-17-11-18(21-19-17)15-8-3-2-4-9-15/h2-11H,12-13H2,1H3
InChIKeyDKYPMSYZQIJPAH-UHFFFAOYSA-N
XLogP4.10
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(S)-(4-fluorophenyl)methylsulfinyl]methyl]-5-phenyl-1,2-oxazole
CID 95571856
3-phenyl-5-[(5-phenyl-1,2-oxazol-3-yl)methylsulfinylmethyl]-1,2-oxazole
CID 75402868
3-[[(S)-(2-chlorophenyl)methylsulfinyl]methyl]-5-methyl-1,2-oxazole
CID 95593609
3-[[(S)-(2-fluorophenyl)methylsulfinyl]methyl]-5-methyl-1,2-oxazole
CID 95593610
5-methyl-3-[[(R)-[2-(trifluoromethyl)phenyl]methylsulfinyl]methyl]-1,2-oxazole
CID 95062171
3-(5-phenyl-1,2-oxazol-3-yl)propanoic acid
CID 53414694
5-(furan-2-yl)-3-[(2-methoxy-5-methylphenyl)methylsulfinylmethyl]-1,2-oxazole
CID 42891337
2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propan-2-amine
CID 112723924
1-(5-phenyl-1,2-oxazol-3-yl)butan-2-amine
CID 170889270
[5-fluoro-2-[(2-methylphenyl)methylsulfinylmethyl]phenyl]methanamine
CID 81333163
2-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]ethanol
CID 60683924
3-[(2-methylphenyl)methylsulfinylmethyl]furan-2-carboxylic acid
CID 55112828

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methylsulfinylmethyl]-5-phenyl-1,2-oxazole?
The IUPAC name of 3-[(2-methylphenyl)methylsulfinylmethyl]-5-phenyl-1,2-oxazole (CID 86923060) is 3-[(2-methylphenyl)methylsulfinylmethyl]-5-phenyl-1,2-oxazole.
What is the SMILES notation for 3-[(2-methylphenyl)methylsulfinylmethyl]-5-phenyl-1,2-oxazole?
The canonical SMILES for 3-[(2-methylphenyl)methylsulfinylmethyl]-5-phenyl-1,2-oxazole is Cc1ccccc1CS(=O)Cc1cc(-c2ccccc2)on1.
What is the InChIKey of 3-[(2-methylphenyl)methylsulfinylmethyl]-5-phenyl-1,2-oxazole?
The InChIKey is DKYPMSYZQIJPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c1-14-7-5-6-10-16(14)12-22(20)13-17-11-18(21-19-17)15-8-3-2-4-9-15/h2-11H,12-13H2,1H3.
What are the key properties of 3-[(2-methylphenyl)methylsulfinylmethyl]-5-phenyl-1,2-oxazole?
3-[(2-methylphenyl)methylsulfinylmethyl]-5-phenyl-1,2-oxazole has a molecular weight of 311.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methylsulfinylmethyl]-5-phenyl-1,2-oxazole is sourced from PubChem (CID 86923060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).