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

C6H11NO — CID 126686768

IUPAC5-ethyl-5-methyl-4H-1,3-oxazole
SMILESCCC1(C)CN=CO1
InChIInChI=1S/C6H11NO/c1-3-6(2)4-7-5-8-6/h5H,3-4H2,1-2H3
InChIKeyWIODMFVZVYOETR-UHFFFAOYSA-N
MW113.16 g/mol
LogP1.21
Rot. Bonds1

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

5-ethyl-5-methyl-4H-1,3-oxazole (PubChem CID 126686768) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 5-ethyl-5-methyl-4H-1,3-oxazole.

Molecular Properties

Compound Name5-ethyl-5-methyl-4H-1,3-oxazole
PubChem CID126686768
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name5-ethyl-5-methyl-4H-1,3-oxazole
SMILESCCC1(C)CN=CO1
InChIInChI=1S/C6H11NO/c1-3-6(2)4-7-5-8-6/h5H,3-4H2,1-2H3
InChIKeyWIODMFVZVYOETR-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Dimethyl-5-ethyl-2-oxazoline
CID 543632
N-(2-methoxy-2-methylpropyl)methanimine
CID 5385
Oxazole, 4,5-dihydro-5,5-dimethyl-
CID 10975416
4,4,5,5-Tetramethyl-1,3-oxazole
CID 20403806
5-Tert-butyl-4,5-dihydro-1,3-oxazole
CID 23383502
5-Propan-2-yl-4,5-dihydro-1,3-oxazole
CID 58473795
5-methyl-5-propan-2-yl-4H-1,3-oxazole
CID 68101719
1-Isocyanato-2-methoxy-2-methylbutane
CID 105428463
5,5-diethyl-4H-1,3-oxazole
CID 129030399
5-methyl-5-propan-2-yl-4H-1,3-oxazole;molecular fluorine;hydrofluoride
CID 161434592
1-Isothiocyanato-2-methoxy-2-methylbutane
CID 130631536

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-4H-1,3-oxazole?
The IUPAC name of 5-ethyl-5-methyl-4H-1,3-oxazole (CID 126686768) is 5-ethyl-5-methyl-4H-1,3-oxazole.
What is the SMILES notation for 5-ethyl-5-methyl-4H-1,3-oxazole?
The canonical SMILES for 5-ethyl-5-methyl-4H-1,3-oxazole is CCC1(C)CN=CO1.
What is the InChIKey of 5-ethyl-5-methyl-4H-1,3-oxazole?
The InChIKey is WIODMFVZVYOETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-6(2)4-7-5-8-6/h5H,3-4H2,1-2H3.
What are the key properties of 5-ethyl-5-methyl-4H-1,3-oxazole?
5-ethyl-5-methyl-4H-1,3-oxazole has a molecular weight of 113.16 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-4H-1,3-oxazole is sourced from PubChem (CID 126686768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).