3,4-dimethyl-5-thiophen-2-yl-1,2-oxazole

C9H9NOS — CID 601597

IUPAC3,4-dimethyl-5-thiophen-2-yl-1,2-oxazole
SMILESCc1noc(-c2cccs2)c1C
InChIInChI=1S/C9H9NOS/c1-6-7(2)10-11-9(6)8-4-3-5-12-8/h3-5H,1-2H3
InChIKeyLGUFOHIGWDGSRM-UHFFFAOYSA-N
MW179.24 g/mol
LogP3.02
Rot. Bonds1

About 3,4-dimethyl-5-thiophen-2-yl-1,2-oxazole

3,4-dimethyl-5-thiophen-2-yl-1,2-oxazole (PubChem CID 601597) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is 3,4-dimethyl-5-thiophen-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3,4-dimethyl-5-thiophen-2-yl-1,2-oxazole
PubChem CID601597
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name3,4-dimethyl-5-thiophen-2-yl-1,2-oxazole
SMILESCc1noc(-c2cccs2)c1C
InChIInChI=1S/C9H9NOS/c1-6-7(2)10-11-9(6)8-4-3-5-12-8/h3-5H,1-2H3
InChIKeyLGUFOHIGWDGSRM-UHFFFAOYSA-N
XLogP3.02
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-thiophen-2-yl-1,2-oxazole?
The IUPAC name of 3,4-dimethyl-5-thiophen-2-yl-1,2-oxazole (CID 601597) is 3,4-dimethyl-5-thiophen-2-yl-1,2-oxazole.
What is the SMILES notation for 3,4-dimethyl-5-thiophen-2-yl-1,2-oxazole?
The canonical SMILES for 3,4-dimethyl-5-thiophen-2-yl-1,2-oxazole is Cc1noc(-c2cccs2)c1C.
What is the InChIKey of 3,4-dimethyl-5-thiophen-2-yl-1,2-oxazole?
The InChIKey is LGUFOHIGWDGSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c1-6-7(2)10-11-9(6)8-4-3-5-12-8/h3-5H,1-2H3.
What are the key properties of 3,4-dimethyl-5-thiophen-2-yl-1,2-oxazole?
3,4-dimethyl-5-thiophen-2-yl-1,2-oxazole has a molecular weight of 179.24 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-thiophen-2-yl-1,2-oxazole is sourced from PubChem (CID 601597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).