4,5-dimethyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-oxazole

C13H13N3OS — CID 115917865

IUPAC4,5-dimethyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCc1nc(Cn2ccnc2-c2cccs2)oc1C
InChIInChI=1S/C13H13N3OS/c1-9-10(2)17-12(15-9)8-16-6-5-14-13(16)11-4-3-7-18-11/h3-7H,8H2,1-2H3
InChIKeyHYUFSRPWTWIJKV-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.26
Rot. Bonds3

About 4,5-dimethyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-oxazole

4,5-dimethyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-oxazole (PubChem CID 115917865) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-oxazole
PubChem CID115917865
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name4,5-dimethyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCc1nc(Cn2ccnc2-c2cccs2)oc1C
InChIInChI=1S/C13H13N3OS/c1-9-10(2)17-12(15-9)8-16-6-5-14-13(16)11-4-3-7-18-11/h3-7H,8H2,1-2H3
InChIKeyHYUFSRPWTWIJKV-UHFFFAOYSA-N
XLogP3.26
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-oxazole (CID 115917865) is 4,5-dimethyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-oxazole is Cc1nc(Cn2ccnc2-c2cccs2)oc1C.
What is the InChIKey of 4,5-dimethyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-oxazole?
The InChIKey is HYUFSRPWTWIJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-9-10(2)17-12(15-9)8-16-6-5-14-13(16)11-4-3-7-18-11/h3-7H,8H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-oxazole?
4,5-dimethyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-oxazole has a molecular weight of 259.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 115917865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).