(5S)-5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole

C6H11NO — CID 58601056

IUPAC(5S)-5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC[C@H]1CC(C)=NO1
InChIInChI=1S/C6H11NO/c1-3-6-4-5(2)7-8-6/h6H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyWLGWHHKJFPUADB-LURJTMIESA-N
MW113.16 g/mol
LogP1.56
Rot. Bonds1

About (5S)-5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole

(5S)-5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 58601056) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (5S)-5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole
PubChem CID58601056
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(5S)-5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC[C@H]1CC(C)=NO1
InChIInChI=1S/C6H11NO/c1-3-6-4-5(2)7-8-6/h6H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyWLGWHHKJFPUADB-LURJTMIESA-N
XLogP1.56
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole (CID 58601056) is (5S)-5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole is CC[C@H]1CC(C)=NO1.
What is the InChIKey of (5S)-5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is WLGWHHKJFPUADB-LURJTMIESA-N. The full InChI is InChI=1S/C6H11NO/c1-3-6-4-5(2)7-8-6/h6H,3-4H2,1-2H3/t6-/m0/s1.
What are the key properties of (5S)-5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole?
(5S)-5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 113.16 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-3-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 58601056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).