5-methyl-3-[[3-(3-thiophen-2-ylphenyl)pyrazol-1-yl]methyl]-1,2-oxazole

C18H15N3OS — CID 28955368

IUPAC5-methyl-3-[[3-(3-thiophen-2-ylphenyl)pyrazol-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(Cn2ccc(-c3cccc(-c4cccs4)c3)n2)no1
InChIInChI=1S/C18H15N3OS/c1-13-10-16(20-22-13)12-21-8-7-17(19-21)14-4-2-5-15(11-14)18-6-3-9-23-18/h2-11H,12H2,1H3
InChIKeyPZHFNXVOMDUVGY-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.62
Rot. Bonds4

About 5-methyl-3-[[3-(3-thiophen-2-ylphenyl)pyrazol-1-yl]methyl]-1,2-oxazole

5-methyl-3-[[3-(3-thiophen-2-ylphenyl)pyrazol-1-yl]methyl]-1,2-oxazole (PubChem CID 28955368) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 5-methyl-3-[[3-(3-thiophen-2-ylphenyl)pyrazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[[3-(3-thiophen-2-ylphenyl)pyrazol-1-yl]methyl]-1,2-oxazole
PubChem CID28955368
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name5-methyl-3-[[3-(3-thiophen-2-ylphenyl)pyrazol-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(Cn2ccc(-c3cccc(-c4cccs4)c3)n2)no1
InChIInChI=1S/C18H15N3OS/c1-13-10-16(20-22-13)12-21-8-7-17(19-21)14-4-2-5-15(11-14)18-6-3-9-23-18/h2-11H,12H2,1H3
InChIKeyPZHFNXVOMDUVGY-UHFFFAOYSA-N
XLogP4.62
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[3-(3-thiophen-2-ylphenyl)pyrazol-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[[3-(3-thiophen-2-ylphenyl)pyrazol-1-yl]methyl]-1,2-oxazole (CID 28955368) is 5-methyl-3-[[3-(3-thiophen-2-ylphenyl)pyrazol-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[[3-(3-thiophen-2-ylphenyl)pyrazol-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[[3-(3-thiophen-2-ylphenyl)pyrazol-1-yl]methyl]-1,2-oxazole is Cc1cc(Cn2ccc(-c3cccc(-c4cccs4)c3)n2)no1.
What is the InChIKey of 5-methyl-3-[[3-(3-thiophen-2-ylphenyl)pyrazol-1-yl]methyl]-1,2-oxazole?
The InChIKey is PZHFNXVOMDUVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-13-10-16(20-22-13)12-21-8-7-17(19-21)14-4-2-5-15(11-14)18-6-3-9-23-18/h2-11H,12H2,1H3.
What are the key properties of 5-methyl-3-[[3-(3-thiophen-2-ylphenyl)pyrazol-1-yl]methyl]-1,2-oxazole?
5-methyl-3-[[3-(3-thiophen-2-ylphenyl)pyrazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 321.41 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[3-(3-thiophen-2-ylphenyl)pyrazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 28955368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).