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

C11H7ClF3NO4 — CID 106690562

IUPACethyl 2-(5-chlorofuran-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2ccc(Cl)o2)nc1C(F)(F)F
InChIInChI=1S/C11H7ClF3NO4/c1-2-18-10(17)7-8(11(13,14)15)16-9(20-7)5-3-4-6(12)19-5/h3-4H,2H2,1H3
InChIKeyYVNMLKUHFIXBKM-UHFFFAOYSA-N
MW309.63 g/mol
LogP3.78
Rot. Bonds3

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

ethyl 2-(5-chlorofuran-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate (PubChem CID 106690562) has the molecular formula C11H7ClF3NO4 and a molecular weight of 309.63 g/mol. Its IUPAC name is ethyl 2-(5-chlorofuran-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(5-chlorofuran-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
PubChem CID106690562
Molecular FormulaC11H7ClF3NO4
Molecular Weight309.63 g/mol
Exact Mass309.00
IUPAC Nameethyl 2-(5-chlorofuran-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2ccc(Cl)o2)nc1C(F)(F)F
InChIInChI=1S/C11H7ClF3NO4/c1-2-18-10(17)7-8(11(13,14)15)16-9(20-7)5-3-4-6(12)19-5/h3-4H,2H2,1H3
InChIKeyYVNMLKUHFIXBKM-UHFFFAOYSA-N
XLogP3.78
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.63
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 103199500
ethyl 2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 103199471
ethyl 2-(methoxymethyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 103199462
ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxylate
CID 23563116
ethyl 5-chloro-6-(trifluoromethyl)pyridine-2-carboxylate
CID 133097674
ethyl 2-[2-(2,2-difluoroethoxy)ethyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 103213463
ethyl 2-(oxan-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 103199495
ethyl 2-[(3-ethoxycyclobutyl)amino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 166260454
ethyl 5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate
CID 133096834
ethyl (3R)-3-amino-3-(5-chlorofuran-2-yl)-2,2-difluoropropanoate;hydrochloride
CID 171244142
ethyl 6-chloro-2,4-bis(trifluoromethyl)pyridine-3-carboxylate
CID 10336213
ethyl 2-(2-chloro-4-fluorophenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylate
CID 114371412

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-chlorofuran-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-(5-chlorofuran-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate (CID 106690562) is ethyl 2-(5-chlorofuran-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(5-chlorofuran-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-(5-chlorofuran-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(-c2ccc(Cl)o2)nc1C(F)(F)F.
What is the InChIKey of ethyl 2-(5-chlorofuran-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
The InChIKey is YVNMLKUHFIXBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3NO4/c1-2-18-10(17)7-8(11(13,14)15)16-9(20-7)5-3-4-6(12)19-5/h3-4H,2H2,1H3.
What are the key properties of ethyl 2-(5-chlorofuran-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
ethyl 2-(5-chlorofuran-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate has a molecular weight of 309.63 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-chlorofuran-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 106690562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).