5-(4-methoxyphenyl)-3-[[(R)-(3-methylphenyl)sulfinyl]methyl]-1,2,4-oxadiazole

C17H16N2O3S — CID 97007197

IUPAC5-(4-methoxyphenyl)-3-[[(R)-(3-methylphenyl)sulfinyl]methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(C[S@@](=O)c3cccc(C)c3)no2)cc1
InChIInChI=1S/C17H16N2O3S/c1-12-4-3-5-15(10-12)23(20)11-16-18-17(22-19-16)13-6-8-14(21-2)9-7-13/h3-10H,11H2,1-2H3/t23-/m1/s1
InChIKeyGXOORKDTWXJREA-HSZRJFAPSA-N
MW328.39 g/mol
LogP3.36
Rot. Bonds5

About 5-(4-methoxyphenyl)-3-[[(R)-(3-methylphenyl)sulfinyl]methyl]-1,2,4-oxadiazole

5-(4-methoxyphenyl)-3-[[(R)-(3-methylphenyl)sulfinyl]methyl]-1,2,4-oxadiazole (PubChem CID 97007197) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-[[(R)-(3-methylphenyl)sulfinyl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-[[(R)-(3-methylphenyl)sulfinyl]methyl]-1,2,4-oxadiazole
PubChem CID97007197
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name5-(4-methoxyphenyl)-3-[[(R)-(3-methylphenyl)sulfinyl]methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(C[S@@](=O)c3cccc(C)c3)no2)cc1
InChIInChI=1S/C17H16N2O3S/c1-12-4-3-5-15(10-12)23(20)11-16-18-17(22-19-16)13-6-8-14(21-2)9-7-13/h3-10H,11H2,1-2H3/t23-/m1/s1
InChIKeyGXOORKDTWXJREA-HSZRJFAPSA-N
XLogP3.36
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-[[(R)-(3-methylphenyl)sulfinyl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methoxyphenyl)-3-[[(R)-(3-methylphenyl)sulfinyl]methyl]-1,2,4-oxadiazole (CID 97007197) is 5-(4-methoxyphenyl)-3-[[(R)-(3-methylphenyl)sulfinyl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-[[(R)-(3-methylphenyl)sulfinyl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methoxyphenyl)-3-[[(R)-(3-methylphenyl)sulfinyl]methyl]-1,2,4-oxadiazole is COc1ccc(-c2nc(C[S@@](=O)c3cccc(C)c3)no2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-[[(R)-(3-methylphenyl)sulfinyl]methyl]-1,2,4-oxadiazole?
The InChIKey is GXOORKDTWXJREA-HSZRJFAPSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-12-4-3-5-15(10-12)23(20)11-16-18-17(22-19-16)13-6-8-14(21-2)9-7-13/h3-10H,11H2,1-2H3/t23-/m1/s1.
What are the key properties of 5-(4-methoxyphenyl)-3-[[(R)-(3-methylphenyl)sulfinyl]methyl]-1,2,4-oxadiazole?
5-(4-methoxyphenyl)-3-[[(R)-(3-methylphenyl)sulfinyl]methyl]-1,2,4-oxadiazole has a molecular weight of 328.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-[[(R)-(3-methylphenyl)sulfinyl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 97007197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).