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

C10H13NOS2 — CID 166063629

IUPAC5-propylsulfanyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole
SMILESCCCSC1CC(c2cccs2)=NO1
InChIInChI=1S/C10H13NOS2/c1-2-5-14-10-7-8(11-12-10)9-4-3-6-13-9/h3-4,6,10H,2,5,7H2,1H3
InChIKeyYLSZYFWFPVWCAT-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.34
Rot. Bonds4

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

5-propylsulfanyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole (PubChem CID 166063629) has the molecular formula C10H13NOS2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 5-propylsulfanyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-propylsulfanyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole
PubChem CID166063629
Molecular FormulaC10H13NOS2
Molecular Weight227.35 g/mol
Exact Mass227.04
IUPAC Name5-propylsulfanyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole
SMILESCCCSC1CC(c2cccs2)=NO1
InChIInChI=1S/C10H13NOS2/c1-2-5-14-10-7-8(11-12-10)9-4-3-6-13-9/h3-4,6,10H,2,5,7H2,1H3
InChIKeyYLSZYFWFPVWCAT-UHFFFAOYSA-N
XLogP3.34
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propylsulfanyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-propylsulfanyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole (CID 166063629) is 5-propylsulfanyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-propylsulfanyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-propylsulfanyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole is CCCSC1CC(c2cccs2)=NO1.
What is the InChIKey of 5-propylsulfanyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole?
The InChIKey is YLSZYFWFPVWCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS2/c1-2-5-14-10-7-8(11-12-10)9-4-3-6-13-9/h3-4,6,10H,2,5,7H2,1H3.
What are the key properties of 5-propylsulfanyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole?
5-propylsulfanyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole has a molecular weight of 227.35 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propylsulfanyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 166063629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).