5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole

C8H9NOS — CID 102443135

IUPAC5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole
SMILESCC1CC(c2cccs2)=NO1
InChIInChI=1S/C8H9NOS/c1-6-5-7(9-10-6)8-3-2-4-11-8/h2-4,6H,5H2,1H3
InChIKeyPAYDBYUVICNEDO-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.26
Rot. Bonds1

About 5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole

5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole (PubChem CID 102443135) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is 5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole
PubChem CID102443135
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole
SMILESCC1CC(c2cccs2)=NO1
InChIInChI=1S/C8H9NOS/c1-6-5-7(9-10-6)8-3-2-4-11-8/h2-4,6H,5H2,1H3
InChIKeyPAYDBYUVICNEDO-UHFFFAOYSA-N
XLogP2.26
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole (CID 102443135) is 5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole is CC1CC(c2cccs2)=NO1.
What is the InChIKey of 5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole?
The InChIKey is PAYDBYUVICNEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c1-6-5-7(9-10-6)8-3-2-4-11-8/h2-4,6H,5H2,1H3.
What are the key properties of 5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole?
5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole has a molecular weight of 167.23 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 102443135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).