ethane;2-propylsulfanyl-1,3-oxazole

C8H15NOS — CID 143629454

IUPACethane;2-propylsulfanyl-1,3-oxazole
SMILESCC.CCCSc1ncco1
InChIInChI=1S/C6H9NOS.C2H6/c1-2-5-9-6-7-3-4-8-6;1-2/h3-4H,2,5H2,1H3;1-2H3
InChIKeyKQZUKACOUQQVRW-UHFFFAOYSA-N
MW173.28 g/mol
LogP3.20
Rot. Bonds3

About ethane;2-propylsulfanyl-1,3-oxazole

ethane;2-propylsulfanyl-1,3-oxazole (PubChem CID 143629454) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is ethane;2-propylsulfanyl-1,3-oxazole.

Molecular Properties

Compound Nameethane;2-propylsulfanyl-1,3-oxazole
PubChem CID143629454
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Nameethane;2-propylsulfanyl-1,3-oxazole
SMILESCC.CCCSc1ncco1
InChIInChI=1S/C6H9NOS.C2H6/c1-2-5-9-6-7-3-4-8-6;1-2/h3-4H,2,5H2,1H3;1-2H3
InChIKeyKQZUKACOUQQVRW-UHFFFAOYSA-N
XLogP3.20
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-propylsulfanyl-1,3-oxazole?
The IUPAC name of ethane;2-propylsulfanyl-1,3-oxazole (CID 143629454) is ethane;2-propylsulfanyl-1,3-oxazole.
What is the SMILES notation for ethane;2-propylsulfanyl-1,3-oxazole?
The canonical SMILES for ethane;2-propylsulfanyl-1,3-oxazole is CC.CCCSc1ncco1.
What is the InChIKey of ethane;2-propylsulfanyl-1,3-oxazole?
The InChIKey is KQZUKACOUQQVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS.C2H6/c1-2-5-9-6-7-3-4-8-6;1-2/h3-4H,2,5H2,1H3;1-2H3.
What are the key properties of ethane;2-propylsulfanyl-1,3-oxazole?
ethane;2-propylsulfanyl-1,3-oxazole has a molecular weight of 173.28 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propylsulfanyl-1,3-oxazole is sourced from PubChem (CID 143629454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).