ethyl 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-oxazole-5-carboxylate

C12H17F2NO4 — CID 103213413

IUPACethyl 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(CCOCC(F)F)nc1CC
InChIInChI=1S/C12H17F2NO4/c1-3-8-11(12(16)18-4-2)19-10(15-8)5-6-17-7-9(13)14/h9H,3-7H2,1-2H3
InChIKeyOOKNAQFHZUHBAZ-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.24
Rot. Bonds8

About ethyl 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-oxazole-5-carboxylate

ethyl 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-oxazole-5-carboxylate (PubChem CID 103213413) has the molecular formula C12H17F2NO4 and a molecular weight of 277.27 g/mol. Its IUPAC name is ethyl 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-oxazole-5-carboxylate
PubChem CID103213413
Molecular FormulaC12H17F2NO4
Molecular Weight277.27 g/mol
Exact Mass277.11
IUPAC Nameethyl 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(CCOCC(F)F)nc1CC
InChIInChI=1S/C12H17F2NO4/c1-3-8-11(12(16)18-4-2)19-10(15-8)5-6-17-7-9(13)14/h9H,3-7H2,1-2H3
InChIKeyOOKNAQFHZUHBAZ-UHFFFAOYSA-N
XLogP2.24
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-(2,2-difluoroethoxy)ethyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 103213463
ethyl 2-(2,2-dimethylpropyl)-4-ethyl-1,3-oxazole-5-carboxylate
CID 104842658
ethyl 3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazole-5-carboxylate
CID 103146501
2-[2-(2,2-difluoroethoxy)ethyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 103213461
ethyl 2-(3-methoxybutyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
CID 114372629
ethyl 4-cyclopropyl-2-(2-ethoxyethyl)-1,3-oxazole-5-carboxylate
CID 114372044
ethyl 4-ethyl-2-(3-methylbutan-2-yl)-1,3-oxazole-5-carboxylate
CID 104842589
ethyl 4-(2-methylpropyl)-2-(propoxymethyl)-1,3-oxazole-5-carboxylate
CID 114018784
ethyl 4-(difluoromethyl)-2-(3-methoxypropyl)-1,3-oxazole-5-carboxylate
CID 103199167
methyl 5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazole-2-carboxylate
CID 103210021
ethyl 2-cyclopentyl-4-ethyl-1,3-oxazole-5-carboxylate
CID 104842750
2-(2-ethoxyethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373850

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-oxazole-5-carboxylate (CID 103213413) is ethyl 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(CCOCC(F)F)nc1CC.
What is the InChIKey of ethyl 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-oxazole-5-carboxylate?
The InChIKey is OOKNAQFHZUHBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO4/c1-3-8-11(12(16)18-4-2)19-10(15-8)5-6-17-7-9(13)14/h9H,3-7H2,1-2H3.
What are the key properties of ethyl 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-oxazole-5-carboxylate?
ethyl 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-oxazole-5-carboxylate has a molecular weight of 277.27 g/mol, XLogP of 2.24, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 103213413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).