3-methyl-4-[2-[3-[2-(4-methylfuran-3-yl)ethyl]thiophen-2-yl]ethyl]-1,2-oxazole

C17H19NO2S — CID 126656953

IUPAC3-methyl-4-[2-[3-[2-(4-methylfuran-3-yl)ethyl]thiophen-2-yl]ethyl]-1,2-oxazole
SMILESCc1cocc1CCc1ccsc1CCc1conc1C
InChIInChI=1S/C17H19NO2S/c1-12-9-19-10-15(12)4-3-14-7-8-21-17(14)6-5-16-11-20-18-13(16)2/h7-11H,3-6H2,1-2H3
InChIKeyGMVAXJBPLSUNGL-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.52
Rot. Bonds6

About 3-methyl-4-[2-[3-[2-(4-methylfuran-3-yl)ethyl]thiophen-2-yl]ethyl]-1,2-oxazole

3-methyl-4-[2-[3-[2-(4-methylfuran-3-yl)ethyl]thiophen-2-yl]ethyl]-1,2-oxazole (PubChem CID 126656953) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 3-methyl-4-[2-[3-[2-(4-methylfuran-3-yl)ethyl]thiophen-2-yl]ethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-4-[2-[3-[2-(4-methylfuran-3-yl)ethyl]thiophen-2-yl]ethyl]-1,2-oxazole
PubChem CID126656953
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name3-methyl-4-[2-[3-[2-(4-methylfuran-3-yl)ethyl]thiophen-2-yl]ethyl]-1,2-oxazole
SMILESCc1cocc1CCc1ccsc1CCc1conc1C
InChIInChI=1S/C17H19NO2S/c1-12-9-19-10-15(12)4-3-14-7-8-21-17(14)6-5-16-11-20-18-13(16)2/h7-11H,3-6H2,1-2H3
InChIKeyGMVAXJBPLSUNGL-UHFFFAOYSA-N
XLogP4.52
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-[3-[2-(4-methylfuran-3-yl)ethyl]thiophen-2-yl]ethyl]-1,2-oxazole?
The IUPAC name of 3-methyl-4-[2-[3-[2-(4-methylfuran-3-yl)ethyl]thiophen-2-yl]ethyl]-1,2-oxazole (CID 126656953) is 3-methyl-4-[2-[3-[2-(4-methylfuran-3-yl)ethyl]thiophen-2-yl]ethyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-4-[2-[3-[2-(4-methylfuran-3-yl)ethyl]thiophen-2-yl]ethyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-4-[2-[3-[2-(4-methylfuran-3-yl)ethyl]thiophen-2-yl]ethyl]-1,2-oxazole is Cc1cocc1CCc1ccsc1CCc1conc1C.
What is the InChIKey of 3-methyl-4-[2-[3-[2-(4-methylfuran-3-yl)ethyl]thiophen-2-yl]ethyl]-1,2-oxazole?
The InChIKey is GMVAXJBPLSUNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-12-9-19-10-15(12)4-3-14-7-8-21-17(14)6-5-16-11-20-18-13(16)2/h7-11H,3-6H2,1-2H3.
What are the key properties of 3-methyl-4-[2-[3-[2-(4-methylfuran-3-yl)ethyl]thiophen-2-yl]ethyl]-1,2-oxazole?
3-methyl-4-[2-[3-[2-(4-methylfuran-3-yl)ethyl]thiophen-2-yl]ethyl]-1,2-oxazole has a molecular weight of 301.41 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-[3-[2-(4-methylfuran-3-yl)ethyl]thiophen-2-yl]ethyl]-1,2-oxazole is sourced from PubChem (CID 126656953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).