ethyl 2-(methoxymethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate

C9H10F3NO4 — CID 103199462

IUPACethyl 2-(methoxymethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(COC)nc1C(F)(F)F
InChIInChI=1S/C9H10F3NO4/c1-3-16-8(14)6-7(9(10,11)12)13-5(17-6)4-15-2/h3-4H2,1-2H3
InChIKeyGSIKCVVLEXPVIV-UHFFFAOYSA-N
MW253.18 g/mol
LogP2.02
Rot. Bonds4

About ethyl 2-(methoxymethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate

ethyl 2-(methoxymethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate (PubChem CID 103199462) has the molecular formula C9H10F3NO4 and a molecular weight of 253.18 g/mol. Its IUPAC name is ethyl 2-(methoxymethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(methoxymethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
PubChem CID103199462
Molecular FormulaC9H10F3NO4
Molecular Weight253.18 g/mol
Exact Mass253.06
IUPAC Nameethyl 2-(methoxymethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(COC)nc1C(F)(F)F
InChIInChI=1S/C9H10F3NO4/c1-3-16-8(14)6-7(9(10,11)12)13-5(17-6)4-15-2/h3-4H2,1-2H3
InChIKeyGSIKCVVLEXPVIV-UHFFFAOYSA-N
XLogP2.02
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(2,2-difluoroethoxy)ethyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 103213463
ethyl 2-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 103199500
ethyl 2-(5-chlorofuran-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 106690562
ethyl 2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 103199471
ethyl 2-[(3-ethoxycyclobutyl)amino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 166260454
ethyl 2-(oxan-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 103199495
ethyl 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylate
CID 86657667
ethyl 7-(methoxymethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 66601804
ethyl 4-(difluoromethyl)-2-(3-methoxypropyl)-1,3-oxazole-5-carboxylate
CID 103199167
ethyl 2-(2,2-dimethylpropyl)-4-ethyl-1,3-oxazole-5-carboxylate
CID 104842658
ethane;ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
CID 163295222
diethyl 2,6-bis(difluoromethyl)-4-propylpyridine-3,5-dicarboxylate;diethyl 4-(methoxymethyl)-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylate
CID 158893552

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methoxymethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-(methoxymethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate (CID 103199462) is ethyl 2-(methoxymethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(methoxymethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-(methoxymethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(COC)nc1C(F)(F)F.
What is the InChIKey of ethyl 2-(methoxymethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
The InChIKey is GSIKCVVLEXPVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO4/c1-3-16-8(14)6-7(9(10,11)12)13-5(17-6)4-15-2/h3-4H2,1-2H3.
What are the key properties of ethyl 2-(methoxymethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
ethyl 2-(methoxymethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate has a molecular weight of 253.18 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methoxymethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 103199462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).