2-[(3,4-dimethoxyphenyl)sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole

C16H15NO4S2 — CID 84586423

IUPAC2-[(3,4-dimethoxyphenyl)sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole
SMILESCOc1ccc(S(=O)Cc2ncc(-c3cccs3)o2)cc1OC
InChIInChI=1S/C16H15NO4S2/c1-19-12-6-5-11(8-13(12)20-2)23(18)10-16-17-9-14(21-16)15-4-3-7-22-15/h3-9H,10H2,1-2H3
InChIKeyTVIVBIXVEMUNBS-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.73
Rot. Bonds6

About 2-[(3,4-dimethoxyphenyl)sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole

2-[(3,4-dimethoxyphenyl)sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole (PubChem CID 84586423) has the molecular formula C16H15NO4S2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole
PubChem CID84586423
Molecular FormulaC16H15NO4S2
Molecular Weight349.43 g/mol
Exact Mass349.04
IUPAC Name2-[(3,4-dimethoxyphenyl)sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole
SMILESCOc1ccc(S(=O)Cc2ncc(-c3cccs3)o2)cc1OC
InChIInChI=1S/C16H15NO4S2/c1-19-12-6-5-11(8-13(12)20-2)23(18)10-16-17-9-14(21-16)15-4-3-7-22-15/h3-9H,10H2,1-2H3
InChIKeyTVIVBIXVEMUNBS-UHFFFAOYSA-N
XLogP3.73
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(S)-(3,4-dimethylphenyl)sulfinyl]methyl]-5-thiophen-2-yl-1,3-oxazole
CID 97031157
2-[[4-(methoxymethyl)phenyl]sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole
CID 75377923
4-[(S)-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfinyl]phenol
CID 99812055
1-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone
CID 17443233
[4-chloro-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]methanol
CID 71985215
methyl (2S)-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2-carboxylate
CID 56791543
3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 8871816
(E)-3-(3,4-dimethoxyphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]prop-2-enamide
CID 119101802
2-[(3,4-dimethoxyphenyl)methyl]thiophene
CID 175110025
1-(5-methylfuran-2-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]ethanamine
CID 86789550
2-methoxy-5-[(5-thiophen-2-ylfuran-2-yl)methylsulfamoyl]benzamide
CID 122264461
4-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 3341404

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole (CID 84586423) is 2-[(3,4-dimethoxyphenyl)sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole is COc1ccc(S(=O)Cc2ncc(-c3cccs3)o2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole?
The InChIKey is TVIVBIXVEMUNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4S2/c1-19-12-6-5-11(8-13(12)20-2)23(18)10-16-17-9-14(21-16)15-4-3-7-22-15/h3-9H,10H2,1-2H3.
What are the key properties of 2-[(3,4-dimethoxyphenyl)sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole?
2-[(3,4-dimethoxyphenyl)sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole has a molecular weight of 349.43 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 84586423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).