ethyl 5-(difluoromethyl)-1,3-oxazole-4-carboxylate

C7H7F2NO3 — CID 138376798

IUPACethyl 5-(difluoromethyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1C(F)F
InChIInChI=1S/C7H7F2NO3/c1-2-12-7(11)4-5(6(8)9)13-3-10-4/h3,6H,2H2,1H3
InChIKeyIZWUMTAEIOFLLI-UHFFFAOYSA-N
MW191.13 g/mol
LogP1.79
Rot. Bonds3

About ethyl 5-(difluoromethyl)-1,3-oxazole-4-carboxylate

ethyl 5-(difluoromethyl)-1,3-oxazole-4-carboxylate (PubChem CID 138376798) has the molecular formula C7H7F2NO3 and a molecular weight of 191.13 g/mol. Its IUPAC name is ethyl 5-(difluoromethyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(difluoromethyl)-1,3-oxazole-4-carboxylate
PubChem CID138376798
Molecular FormulaC7H7F2NO3
Molecular Weight191.13 g/mol
Exact Mass191.04
IUPAC Nameethyl 5-(difluoromethyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1C(F)F
InChIInChI=1S/C7H7F2NO3/c1-2-12-7(11)4-5(6(8)9)13-3-10-4/h3,6H,2H2,1H3
InChIKeyIZWUMTAEIOFLLI-UHFFFAOYSA-N
XLogP1.79
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.13
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 5-methyl-1,3-oxazole-4-carboxylate
CID 12214101
4-Oxazolecarboxylic acid, 5-ethyl-, ethyl ester
CID 12214102
Methyl 5-methyl-1,3-oxazole-4-carboxylate
CID 12627321
Ethyl 2-methyl-5-(trifluoromethyl)-4-oxazolecarboxylate
CID 357620
5-methyl-1,3-oxazole-4-carboxylic Acid
CID 11355484
Ethyl 2-chloro-5-methyl-1,3-oxazole-4-carboxylate
CID 66524335
Ethyl 2-bromo-5-methyl-4-oxazolecarboxylate
CID 66524336
4-Oxazolecarboxylic acid, 5-(trifluoromethyl)-
CID 71695419
Ethyl 5-(trifluoromethyl)oxazole-4-carboxylate
CID 72212390
2-{[4-(Methoxycarbonyl)-1,3-oxazol-5-yl]methoxy}acetic acid
CID 121553582
Ethyl 5-(isocyanomethyl)-1,3-oxazole-4-carboxylate
CID 132398568
Lithium(1+) 5-(difluoromethyl)-1,3-oxazole-4-carboxylate
CID 167730778

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(difluoromethyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(difluoromethyl)-1,3-oxazole-4-carboxylate (CID 138376798) is ethyl 5-(difluoromethyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(difluoromethyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(difluoromethyl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1ncoc1C(F)F.
What is the InChIKey of ethyl 5-(difluoromethyl)-1,3-oxazole-4-carboxylate?
The InChIKey is IZWUMTAEIOFLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO3/c1-2-12-7(11)4-5(6(8)9)13-3-10-4/h3,6H,2H2,1H3.
What are the key properties of ethyl 5-(difluoromethyl)-1,3-oxazole-4-carboxylate?
ethyl 5-(difluoromethyl)-1,3-oxazole-4-carboxylate has a molecular weight of 191.13 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(difluoromethyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 138376798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).