3-[(4-methoxyphenyl)sulfinylmethyl]-5-methyl-1,2,4-oxadiazole

C11H12N2O3S — CID 71932214

IUPAC3-[(4-methoxyphenyl)sulfinylmethyl]-5-methyl-1,2,4-oxadiazole
SMILESCOc1ccc(S(=O)Cc2noc(C)n2)cc1
InChIInChI=1S/C11H12N2O3S/c1-8-12-11(13-16-8)7-17(14)10-5-3-9(15-2)4-6-10/h3-6H,7H2,1-2H3
InChIKeyAEURLLGKFONGFB-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.69
Rot. Bonds4

About 3-[(4-methoxyphenyl)sulfinylmethyl]-5-methyl-1,2,4-oxadiazole

3-[(4-methoxyphenyl)sulfinylmethyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 71932214) has the molecular formula C11H12N2O3S and a molecular weight of 252.30 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)sulfinylmethyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)sulfinylmethyl]-5-methyl-1,2,4-oxadiazole
PubChem CID71932214
Molecular FormulaC11H12N2O3S
Molecular Weight252.30 g/mol
Exact Mass252.06
IUPAC Name3-[(4-methoxyphenyl)sulfinylmethyl]-5-methyl-1,2,4-oxadiazole
SMILESCOc1ccc(S(=O)Cc2noc(C)n2)cc1
InChIInChI=1S/C11H12N2O3S/c1-8-12-11(13-16-8)7-17(14)10-5-3-9(15-2)4-6-10/h3-6H,7H2,1-2H3
InChIKeyAEURLLGKFONGFB-UHFFFAOYSA-N
XLogP1.69
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)sulfinylmethyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-methoxyphenyl)sulfinylmethyl]-5-methyl-1,2,4-oxadiazole (CID 71932214) is 3-[(4-methoxyphenyl)sulfinylmethyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-methoxyphenyl)sulfinylmethyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-methoxyphenyl)sulfinylmethyl]-5-methyl-1,2,4-oxadiazole is COc1ccc(S(=O)Cc2noc(C)n2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)sulfinylmethyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is AEURLLGKFONGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-8-12-11(13-16-8)7-17(14)10-5-3-9(15-2)4-6-10/h3-6H,7H2,1-2H3.
What are the key properties of 3-[(4-methoxyphenyl)sulfinylmethyl]-5-methyl-1,2,4-oxadiazole?
3-[(4-methoxyphenyl)sulfinylmethyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 252.30 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)sulfinylmethyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 71932214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).