5-(1,5-dimethylpyrazol-4-yl)-3-methylsulfanyl-1,2-oxazole

C9H11N3OS — CID 123772422

IUPAC5-(1,5-dimethylpyrazol-4-yl)-3-methylsulfanyl-1,2-oxazole
SMILESCSc1cc(-c2cnn(C)c2C)on1
InChIInChI=1S/C9H11N3OS/c1-6-7(5-10-12(6)2)8-4-9(14-3)11-13-8/h4-5H,1-3H3
InChIKeyZWJCRWVAQZENFR-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.11
Rot. Bonds2

About 5-(1,5-dimethylpyrazol-4-yl)-3-methylsulfanyl-1,2-oxazole

5-(1,5-dimethylpyrazol-4-yl)-3-methylsulfanyl-1,2-oxazole (PubChem CID 123772422) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 5-(1,5-dimethylpyrazol-4-yl)-3-methylsulfanyl-1,2-oxazole.

Molecular Properties

Compound Name5-(1,5-dimethylpyrazol-4-yl)-3-methylsulfanyl-1,2-oxazole
PubChem CID123772422
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name5-(1,5-dimethylpyrazol-4-yl)-3-methylsulfanyl-1,2-oxazole
SMILESCSc1cc(-c2cnn(C)c2C)on1
InChIInChI=1S/C9H11N3OS/c1-6-7(5-10-12(6)2)8-4-9(14-3)11-13-8/h4-5H,1-3H3
InChIKeyZWJCRWVAQZENFR-UHFFFAOYSA-N
XLogP2.11
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,5-dimethyl-1H-pyrazol-4-yl)isoxazole
CID 7016452
5-(1,3-Dimethyl-1H-pyrazol-4-YL)isoxazole
CID 19583686
5-[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]-1,2-oxazol-3-amine
CID 165742939
5-(1,3-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-4-sulfonyl fluoride
CID 165840426
5-(1,3-Dimethyl-1h-pyrazol-4-yl)isoxazole-4-sulfonyl chloride
CID 17024794
5-(1-Methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole
CID 58030269
5-(1-Ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole
CID 65240027
5-(1,5-Dimethylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole
CID 68011302
5-(1-Methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole
CID 68011334
5-Methyl-3-(1-methylpyrazol-4-yl)-1,2-oxazole
CID 68019167
3-Methyl-5-(1-methylpyrazol-4-yl)-1,2-oxazole
CID 68019169
5-(1,5-Dimethylpyrazol-4-yl)-3-methyl-1,2-oxazole
CID 68019221

Frequently Asked Questions

What is the IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-3-methylsulfanyl-1,2-oxazole?
The IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-3-methylsulfanyl-1,2-oxazole (CID 123772422) is 5-(1,5-dimethylpyrazol-4-yl)-3-methylsulfanyl-1,2-oxazole.
What is the SMILES notation for 5-(1,5-dimethylpyrazol-4-yl)-3-methylsulfanyl-1,2-oxazole?
The canonical SMILES for 5-(1,5-dimethylpyrazol-4-yl)-3-methylsulfanyl-1,2-oxazole is CSc1cc(-c2cnn(C)c2C)on1.
What is the InChIKey of 5-(1,5-dimethylpyrazol-4-yl)-3-methylsulfanyl-1,2-oxazole?
The InChIKey is ZWJCRWVAQZENFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-6-7(5-10-12(6)2)8-4-9(14-3)11-13-8/h4-5H,1-3H3.
What are the key properties of 5-(1,5-dimethylpyrazol-4-yl)-3-methylsulfanyl-1,2-oxazole?
5-(1,5-dimethylpyrazol-4-yl)-3-methylsulfanyl-1,2-oxazole has a molecular weight of 209.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-dimethylpyrazol-4-yl)-3-methylsulfanyl-1,2-oxazole is sourced from PubChem (CID 123772422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).