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

C12H11N3OS — CID 56787268

IUPAC3-methyl-5-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,2-oxazole
SMILESCc1cc(Cn2ccc(-c3ccsc3)n2)on1
InChIInChI=1S/C12H11N3OS/c1-9-6-11(16-14-9)7-15-4-2-12(13-15)10-3-5-17-8-10/h2-6,8H,7H2,1H3
InChIKeyMPFAGWSQSZLVIF-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.96
Rot. Bonds3

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

3-methyl-5-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,2-oxazole (PubChem CID 56787268) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 3-methyl-5-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,2-oxazole
PubChem CID56787268
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name3-methyl-5-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,2-oxazole
SMILESCc1cc(Cn2ccc(-c3ccsc3)n2)on1
InChIInChI=1S/C12H11N3OS/c1-9-6-11(16-14-9)7-15-4-2-12(13-15)10-3-5-17-8-10/h2-6,8H,7H2,1H3
InChIKeyMPFAGWSQSZLVIF-UHFFFAOYSA-N
XLogP2.96
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,2-oxazole (CID 56787268) is 3-methyl-5-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,2-oxazole is Cc1cc(Cn2ccc(-c3ccsc3)n2)on1.
What is the InChIKey of 3-methyl-5-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,2-oxazole?
The InChIKey is MPFAGWSQSZLVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-9-6-11(16-14-9)7-15-4-2-12(13-15)10-3-5-17-8-10/h2-6,8H,7H2,1H3.
What are the key properties of 3-methyl-5-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,2-oxazole?
3-methyl-5-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,2-oxazole has a molecular weight of 245.31 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 56787268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).