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

C10H9NOS — CID 5325023

IUPAC3-methylsulfanyl-5-phenyl-1,2-oxazole
SMILESCSc1cc(-c2ccccc2)on1
InChIInChI=1S/C10H9NOS/c1-13-10-7-9(12-11-10)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyLUJCYMSWMREVSQ-UHFFFAOYSA-N
MW191.25 g/mol
LogP3.06
Rot. Bonds2

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

3-methylsulfanyl-5-phenyl-1,2-oxazole (PubChem CID 5325023) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 3-methylsulfanyl-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name3-methylsulfanyl-5-phenyl-1,2-oxazole
PubChem CID5325023
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name3-methylsulfanyl-5-phenyl-1,2-oxazole
SMILESCSc1cc(-c2ccccc2)on1
InChIInChI=1S/C10H9NOS/c1-13-10-7-9(12-11-10)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyLUJCYMSWMREVSQ-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

ethane;5-phenyl-1,2-oxazol-3-amine
CID 145311661
ethane;5-phenyl-1,2-oxazole-3-carbaldehyde
CID 144767511
ethane;1-(5-phenyl-1,2-oxazol-3-yl)ethanone
CID 145281683
N-[1-(5-phenyl-1,2-oxazol-3-yl)ethylidene]hydroxylamine
CID 137224922
5-phenyl-3-pyridin-4-yl-1,2-oxazole
CID 5112426
5-phenyl-1,2-oxazole-3-carbothioic S-acid
CID 144767525
2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propan-2-amine
CID 112723924
1-(5-phenyl-1,2-oxazol-3-yl)butan-2-amine
CID 170889270
2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]propan-1-ol
CID 113244583
3-(1,1-difluoropropoxymethyl)-5-phenyl-1,2-oxazole
CID 90125012
(4-fluorophenyl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 10858449
N-(2-methylsulfanylphenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90503194

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-5-phenyl-1,2-oxazole?
The IUPAC name of 3-methylsulfanyl-5-phenyl-1,2-oxazole (CID 5325023) is 3-methylsulfanyl-5-phenyl-1,2-oxazole.
What is the SMILES notation for 3-methylsulfanyl-5-phenyl-1,2-oxazole?
The canonical SMILES for 3-methylsulfanyl-5-phenyl-1,2-oxazole is CSc1cc(-c2ccccc2)on1.
What is the InChIKey of 3-methylsulfanyl-5-phenyl-1,2-oxazole?
The InChIKey is LUJCYMSWMREVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c1-13-10-7-9(12-11-10)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 3-methylsulfanyl-5-phenyl-1,2-oxazole?
3-methylsulfanyl-5-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 3-methylsulfanyl-5-phenyl-1,2-oxazole is sourced from PubChem (CID 5325023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).