5-methylsulfanyl-3-phenyl-1,2-oxazole

C10H9NOS — CID 575797

IUPAC5-methylsulfanyl-3-phenyl-1,2-oxazole
SMILESCSc1cc(-c2ccccc2)no1
InChIInChI=1S/C10H9NOS/c1-13-10-7-9(11-12-10)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyCCUUBLRAMGCOOB-UHFFFAOYSA-N
MW191.25 g/mol
LogP3.06
Rot. Bonds2

About 5-methylsulfanyl-3-phenyl-1,2-oxazole

5-methylsulfanyl-3-phenyl-1,2-oxazole (PubChem CID 575797) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 5-methylsulfanyl-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-methylsulfanyl-3-phenyl-1,2-oxazole
PubChem CID575797
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name5-methylsulfanyl-3-phenyl-1,2-oxazole
SMILESCSc1cc(-c2ccccc2)no1
InChIInChI=1S/C10H9NOS/c1-13-10-7-9(11-12-10)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyCCUUBLRAMGCOOB-UHFFFAOYSA-N
XLogP3.06
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Phenylisoxazole
CID 136798
5-Methyl-3-phenyl-1,2-oxazole
CID 136803
5-Tert-butyl-3-phenyl-1,2-oxazole
CID 2853311
3-Phenyl-5-[(phenylsulfonyl)methyl]isoxazole
CID 1479607
5-Bromo-3-phenyl-1,2-oxazole
CID 326081
3-(4-Fluorophenyl)isoxazole
CID 12982545
4-Chlorophenyl (3-phenyl-5-isoxazolyl)methyl sulfide
CID 1479579
3-(4-Chlorophenyl)-5-[(phenylthio)methyl]isoxazole
CID 1479597
Phosphonic acid, (3-phenyl-5-isoxazolyl)-
CID 3079435
2-(3-Methylisoxazol-5-yl)-3-(4-fluorophenyl)-8-thiabicyclo[3.2.1]oct-2-ene
CID 53317717
3-Phenyl-5-[(phenylthio)methyl]isoxazole
CID 1479588
3-(4-Chlorophenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}isoxazole
CID 1479598

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-3-phenyl-1,2-oxazole?
The IUPAC name of 5-methylsulfanyl-3-phenyl-1,2-oxazole (CID 575797) is 5-methylsulfanyl-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-methylsulfanyl-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-methylsulfanyl-3-phenyl-1,2-oxazole is CSc1cc(-c2ccccc2)no1.
What is the InChIKey of 5-methylsulfanyl-3-phenyl-1,2-oxazole?
The InChIKey is CCUUBLRAMGCOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c1-13-10-7-9(11-12-10)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 5-methylsulfanyl-3-phenyl-1,2-oxazole?
5-methylsulfanyl-3-phenyl-1,2-oxazole has a molecular weight of 191.25 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-3-phenyl-1,2-oxazole is sourced from PubChem (CID 575797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).