5-deuterio-5-ethyl-3-methyl-4H-1,2-oxazole

C6H11NO — CID 58182845

IUPAC5-deuterio-5-ethyl-3-methyl-4H-1,2-oxazole
SMILES[2H]C1(CC)CC(C)=NO1
InChIInChI=1S/C6H11NO/c1-3-6-4-5(2)7-8-6/h6H,3-4H2,1-2H3/i6D
InChIKeyWLGWHHKJFPUADB-RAMDWTOOSA-N
MW114.17 g/mol
LogP1.56
Rot. Bonds1

About 5-deuterio-5-ethyl-3-methyl-4H-1,2-oxazole

5-deuterio-5-ethyl-3-methyl-4H-1,2-oxazole (PubChem CID 58182845) has the molecular formula C6H11NO and a molecular weight of 114.17 g/mol. Its IUPAC name is 5-deuterio-5-ethyl-3-methyl-4H-1,2-oxazole.

Molecular Properties

Compound Name5-deuterio-5-ethyl-3-methyl-4H-1,2-oxazole
PubChem CID58182845
Molecular FormulaC6H11NO
Molecular Weight114.17 g/mol
Exact Mass114.09
IUPAC Name5-deuterio-5-ethyl-3-methyl-4H-1,2-oxazole
SMILES[2H]C1(CC)CC(C)=NO1
InChIInChI=1S/C6H11NO/c1-3-6-4-5(2)7-8-6/h6H,3-4H2,1-2H3/i6D
InChIKeyWLGWHHKJFPUADB-RAMDWTOOSA-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 ≤ 500114.17
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-deuterio-5-ethyl-3-methyl-4H-1,2-oxazole?
The IUPAC name of 5-deuterio-5-ethyl-3-methyl-4H-1,2-oxazole (CID 58182845) is 5-deuterio-5-ethyl-3-methyl-4H-1,2-oxazole.
What is the SMILES notation for 5-deuterio-5-ethyl-3-methyl-4H-1,2-oxazole?
The canonical SMILES for 5-deuterio-5-ethyl-3-methyl-4H-1,2-oxazole is [2H]C1(CC)CC(C)=NO1.
What is the InChIKey of 5-deuterio-5-ethyl-3-methyl-4H-1,2-oxazole?
The InChIKey is WLGWHHKJFPUADB-RAMDWTOOSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-6-4-5(2)7-8-6/h6H,3-4H2,1-2H3/i6D.
What are the key properties of 5-deuterio-5-ethyl-3-methyl-4H-1,2-oxazole?
5-deuterio-5-ethyl-3-methyl-4H-1,2-oxazole has a molecular weight of 114.17 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 5-deuterio-5-ethyl-3-methyl-4H-1,2-oxazole is sourced from PubChem (CID 58182845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).