propane;thiolane;2,4,5-trimethyl-1,3-oxazole

C13H25NOS — CID 91247463

IUPACpropane;thiolane;2,4,5-trimethyl-1,3-oxazole
SMILESC1CCSC1.CCC.Cc1nc(C)c(C)o1
InChIInChI=1S/C6H9NO.C4H8S.C3H8/c1-4-5(2)8-6(3)7-4;1-2-4-5-3-1;1-3-2/h1-3H3;1-4H2;3H2,1-2H3
InChIKeyWRKRQHJBPQSKPS-UHFFFAOYSA-N
MW243.42 g/mol
LogP4.53
Rot. Bonds

About propane;thiolane;2,4,5-trimethyl-1,3-oxazole

propane;thiolane;2,4,5-trimethyl-1,3-oxazole (PubChem CID 91247463) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is propane;thiolane;2,4,5-trimethyl-1,3-oxazole.

Molecular Properties

Compound Namepropane;thiolane;2,4,5-trimethyl-1,3-oxazole
PubChem CID91247463
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Namepropane;thiolane;2,4,5-trimethyl-1,3-oxazole
SMILESC1CCSC1.CCC.Cc1nc(C)c(C)o1
InChIInChI=1S/C6H9NO.C4H8S.C3H8/c1-4-5(2)8-6(3)7-4;1-2-4-5-3-1;1-3-2/h1-3H3;1-4H2;3H2,1-2H3
InChIKeyWRKRQHJBPQSKPS-UHFFFAOYSA-N
XLogP4.53
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propane;thiolane;2,4,5-trimethyl-1,3-oxazole?
The IUPAC name of propane;thiolane;2,4,5-trimethyl-1,3-oxazole (CID 91247463) is propane;thiolane;2,4,5-trimethyl-1,3-oxazole.
What is the SMILES notation for propane;thiolane;2,4,5-trimethyl-1,3-oxazole?
The canonical SMILES for propane;thiolane;2,4,5-trimethyl-1,3-oxazole is C1CCSC1.CCC.Cc1nc(C)c(C)o1.
What is the InChIKey of propane;thiolane;2,4,5-trimethyl-1,3-oxazole?
The InChIKey is WRKRQHJBPQSKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C4H8S.C3H8/c1-4-5(2)8-6(3)7-4;1-2-4-5-3-1;1-3-2/h1-3H3;1-4H2;3H2,1-2H3.
What are the key properties of propane;thiolane;2,4,5-trimethyl-1,3-oxazole?
propane;thiolane;2,4,5-trimethyl-1,3-oxazole has a molecular weight of 243.42 g/mol, XLogP of 4.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propane;thiolane;2,4,5-trimethyl-1,3-oxazole is sourced from PubChem (CID 91247463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).