5-[(2-bromophenyl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole

C17H14BrNO2S — CID 24585123

IUPAC5-[(2-bromophenyl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccccc1-c1cc(CSc2ccccc2Br)on1
InChIInChI=1S/C17H14BrNO2S/c1-20-16-8-4-2-6-13(16)15-10-12(21-19-15)11-22-17-9-5-3-7-14(17)18/h2-10H,11H2,1H3
InChIKeyOIQUWWSQFCRVJS-UHFFFAOYSA-N
MW376.28 g/mol
LogP5.41
Rot. Bonds5

About 5-[(2-bromophenyl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole

5-[(2-bromophenyl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole (PubChem CID 24585123) has the molecular formula C17H14BrNO2S and a molecular weight of 376.28 g/mol. Its IUPAC name is 5-[(2-bromophenyl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-[(2-bromophenyl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole
PubChem CID24585123
Molecular FormulaC17H14BrNO2S
Molecular Weight376.28 g/mol
Exact Mass374.99
IUPAC Name5-[(2-bromophenyl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccccc1-c1cc(CSc2ccccc2Br)on1
InChIInChI=1S/C17H14BrNO2S/c1-20-16-8-4-2-6-13(16)15-10-12(21-19-15)11-22-17-9-5-3-7-14(17)18/h2-10H,11H2,1H3
InChIKeyOIQUWWSQFCRVJS-UHFFFAOYSA-N
XLogP5.41
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.28
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenyl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole?
The IUPAC name of 5-[(2-bromophenyl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole (CID 24585123) is 5-[(2-bromophenyl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 5-[(2-bromophenyl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole?
The canonical SMILES for 5-[(2-bromophenyl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole is COc1ccccc1-c1cc(CSc2ccccc2Br)on1.
What is the InChIKey of 5-[(2-bromophenyl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole?
The InChIKey is OIQUWWSQFCRVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2S/c1-20-16-8-4-2-6-13(16)15-10-12(21-19-15)11-22-17-9-5-3-7-14(17)18/h2-10H,11H2,1H3.
What are the key properties of 5-[(2-bromophenyl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole?
5-[(2-bromophenyl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole has a molecular weight of 376.28 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenyl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 24585123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).