3-ethyl-5-methyl-4,5-dihydro-1,2-oxazole

C6H11NO — CID 14401180

IUPAC3-ethyl-5-methyl-4,5-dihydro-1,2-oxazole
SMILESCCC1=NOC(C)C1
InChIInChI=1S/C6H11NO/c1-3-6-4-5(2)8-7-6/h5H,3-4H2,1-2H3
InChIKeyUEKMLXHTQCTALY-UHFFFAOYSA-N
MW113.16 g/mol
LogP1.56
Rot. Bonds1

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

3-ethyl-5-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 14401180) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 3-ethyl-5-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-5-methyl-4,5-dihydro-1,2-oxazole
PubChem CID14401180
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name3-ethyl-5-methyl-4,5-dihydro-1,2-oxazole
SMILESCCC1=NOC(C)C1
InChIInChI=1S/C6H11NO/c1-3-6-4-5(2)8-7-6/h5H,3-4H2,1-2H3
InChIKeyUEKMLXHTQCTALY-UHFFFAOYSA-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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Related Compounds

3,5-Dimethyl-4,5-dihydro-1,2-oxazole
CID 12228202
3-Ethyl-5-fluoro-4,5-dihydro-1,2-oxazole
CID 67989550
(5S)-5-(fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 89225275
3-Ethyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
CID 117837233
5-(Fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 142566381
(5S)-5-methyl-3-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole
CID 166529350
5-Methyl-3-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole
CID 173413357
6-(iodomethyl)-3-methyl-5,6-dihydro-4H-oxazine
CID 23245808
3-Propyl-4,5-dihydro-1,2-oxazole
CID 11708053
3-Butyl-4,5-dihydro-1,2-oxazole
CID 12415358
3-ethyl-5,6-dihydro-4H-1,2-oxazine
CID 12719500
3-Methyl-4,5,6,7-tetrahydrooxazepine
CID 12958754

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-ethyl-5-methyl-4,5-dihydro-1,2-oxazole (CID 14401180) is 3-ethyl-5-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-ethyl-5-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-ethyl-5-methyl-4,5-dihydro-1,2-oxazole is CCC1=NOC(C)C1.
What is the InChIKey of 3-ethyl-5-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is UEKMLXHTQCTALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-6-4-5(2)8-7-6/h5H,3-4H2,1-2H3.
What are the key properties of 3-ethyl-5-methyl-4,5-dihydro-1,2-oxazole?
3-ethyl-5-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 3-ethyl-5-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 14401180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).