4,4-dimethyl-2-(3-methylsulfanylthiophen-2-yl)-5H-1,3-oxazole

C10H13NOS2 — CID 614895

IUPAC4,4-dimethyl-2-(3-methylsulfanylthiophen-2-yl)-5H-1,3-oxazole
SMILESCSc1ccsc1C1=NC(C)(C)CO1
InChIInChI=1S/C10H13NOS2/c1-10(2)6-12-9(11-10)8-7(13-3)4-5-14-8/h4-5H,6H2,1-3H3
InChIKeyRRGCQPOAEMJNJF-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.03
Rot. Bonds2

About 4,4-dimethyl-2-(3-methylsulfanylthiophen-2-yl)-5H-1,3-oxazole

4,4-dimethyl-2-(3-methylsulfanylthiophen-2-yl)-5H-1,3-oxazole (PubChem CID 614895) has the molecular formula C10H13NOS2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 4,4-dimethyl-2-(3-methylsulfanylthiophen-2-yl)-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-(3-methylsulfanylthiophen-2-yl)-5H-1,3-oxazole
PubChem CID614895
Molecular FormulaC10H13NOS2
Molecular Weight227.35 g/mol
Exact Mass227.04
IUPAC Name4,4-dimethyl-2-(3-methylsulfanylthiophen-2-yl)-5H-1,3-oxazole
SMILESCSc1ccsc1C1=NC(C)(C)CO1
InChIInChI=1S/C10H13NOS2/c1-10(2)6-12-9(11-10)8-7(13-3)4-5-14-8/h4-5H,6H2,1-3H3
InChIKeyRRGCQPOAEMJNJF-UHFFFAOYSA-N
XLogP3.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(3-methylsulfanylthiophen-2-yl)-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-(3-methylsulfanylthiophen-2-yl)-5H-1,3-oxazole (CID 614895) is 4,4-dimethyl-2-(3-methylsulfanylthiophen-2-yl)-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-(3-methylsulfanylthiophen-2-yl)-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-(3-methylsulfanylthiophen-2-yl)-5H-1,3-oxazole is CSc1ccsc1C1=NC(C)(C)CO1.
What is the InChIKey of 4,4-dimethyl-2-(3-methylsulfanylthiophen-2-yl)-5H-1,3-oxazole?
The InChIKey is RRGCQPOAEMJNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS2/c1-10(2)6-12-9(11-10)8-7(13-3)4-5-14-8/h4-5H,6H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-(3-methylsulfanylthiophen-2-yl)-5H-1,3-oxazole?
4,4-dimethyl-2-(3-methylsulfanylthiophen-2-yl)-5H-1,3-oxazole has a molecular weight of 227.35 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(3-methylsulfanylthiophen-2-yl)-5H-1,3-oxazole is sourced from PubChem (CID 614895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).