5-methylsulfanyl-3-[(E)-2-phenylethenyl]-1,2-oxazole

C12H11NOS — CID 15176036

IUPAC5-methylsulfanyl-3-[(E)-2-phenylethenyl]-1,2-oxazole
SMILESCSc1cc(/C=C/c2ccccc2)no1
InChIInChI=1S/C12H11NOS/c1-15-12-9-11(13-14-12)8-7-10-5-3-2-4-6-10/h2-9H,1H3/b8-7+
InChIKeyPOAMVVDQTSEHAH-BQYQJAHWSA-N
MW217.29 g/mol
LogP3.57
Rot. Bonds3

About 5-methylsulfanyl-3-[(E)-2-phenylethenyl]-1,2-oxazole

5-methylsulfanyl-3-[(E)-2-phenylethenyl]-1,2-oxazole (PubChem CID 15176036) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 5-methylsulfanyl-3-[(E)-2-phenylethenyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methylsulfanyl-3-[(E)-2-phenylethenyl]-1,2-oxazole
PubChem CID15176036
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name5-methylsulfanyl-3-[(E)-2-phenylethenyl]-1,2-oxazole
SMILESCSc1cc(/C=C/c2ccccc2)no1
InChIInChI=1S/C12H11NOS/c1-15-12-9-11(13-14-12)8-7-10-5-3-2-4-6-10/h2-9H,1H3/b8-7+
InChIKeyPOAMVVDQTSEHAH-BQYQJAHWSA-N
XLogP3.57
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Dimethyl-4-{[(4-methylphenyl)sulfonyl]methyl}isoxazole
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5-Methylsulfanyl-3-phenyl-1,2-oxazole
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5-Ethylsulfanyl-3-phenyl-1,2-oxazole
CID 12371368
3-Methyl-5-styryl-isoxazole
CID 12292503
5-Methylsulfinyl-3-phenyl-1,2-oxazole
CID 12371371
5-Methylsulfonyl-3-phenyl-1,2-oxazole
CID 12371372
5-[(2-Fluorophenyl)methylsulfinylmethyl]-3-methyl-1,2-oxazole
CID 56811443
3-[(2-Fluorophenyl)methylsulfinylmethyl]-5-methyl-1,2-oxazole
CID 56822253
5-Methyl-3-[(2-methylphenyl)methylsulfinylmethyl]-1,2-oxazole
CID 56822254
3-[(3-Fluorophenyl)sulfanylmethyl]-5-methyl-1,2-oxazole
CID 172436814
S-(4-methylphenyl) 5-methyl-1,2-oxazole-3-carbothioate
CID 2744556

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-3-[(E)-2-phenylethenyl]-1,2-oxazole?
The IUPAC name of 5-methylsulfanyl-3-[(E)-2-phenylethenyl]-1,2-oxazole (CID 15176036) is 5-methylsulfanyl-3-[(E)-2-phenylethenyl]-1,2-oxazole.
What is the SMILES notation for 5-methylsulfanyl-3-[(E)-2-phenylethenyl]-1,2-oxazole?
The canonical SMILES for 5-methylsulfanyl-3-[(E)-2-phenylethenyl]-1,2-oxazole is CSc1cc(/C=C/c2ccccc2)no1.
What is the InChIKey of 5-methylsulfanyl-3-[(E)-2-phenylethenyl]-1,2-oxazole?
The InChIKey is POAMVVDQTSEHAH-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H11NOS/c1-15-12-9-11(13-14-12)8-7-10-5-3-2-4-6-10/h2-9H,1H3/b8-7+.
What are the key properties of 5-methylsulfanyl-3-[(E)-2-phenylethenyl]-1,2-oxazole?
5-methylsulfanyl-3-[(E)-2-phenylethenyl]-1,2-oxazole has a molecular weight of 217.29 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-3-[(E)-2-phenylethenyl]-1,2-oxazole is sourced from PubChem (CID 15176036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).