ethyl 2-benzamido-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetate

C14H12F3N3O4 — CID 56725807

IUPACethyl 2-benzamido-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetate
SMILESCCOC(=O)C(NC(=O)c1ccccc1)c1nnc(C(F)(F)F)o1
InChIInChI=1S/C14H12F3N3O4/c1-2-23-12(22)9(11-19-20-13(24-11)14(15,16)17)18-10(21)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,18,21)
InChIKeyKFQFBIOLUGZHLJ-UHFFFAOYSA-N
MW343.26 g/mol
LogP2.12
Rot. Bonds5

About ethyl 2-benzamido-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetate

ethyl 2-benzamido-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetate (PubChem CID 56725807) has the molecular formula C14H12F3N3O4 and a molecular weight of 343.26 g/mol. Its IUPAC name is ethyl 2-benzamido-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-benzamido-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetate
PubChem CID56725807
Molecular FormulaC14H12F3N3O4
Molecular Weight343.26 g/mol
Exact Mass343.08
IUPAC Nameethyl 2-benzamido-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetate
SMILESCCOC(=O)C(NC(=O)c1ccccc1)c1nnc(C(F)(F)F)o1
InChIInChI=1S/C14H12F3N3O4/c1-2-23-12(22)9(11-19-20-13(24-11)14(15,16)17)18-10(21)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,18,21)
InChIKeyKFQFBIOLUGZHLJ-UHFFFAOYSA-N
XLogP2.12
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (2R)-2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate
CID 51699903
ethyl 2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate
CID 56726055
methyl (2S)-2-[(4-methylbenzoyl)amino]-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetate
CID 39868650
methyl 2-benzamido-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]acetate
CID 56725802
methyl 2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate
CID 56726050
methyl (2R)-2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate
CID 51699894
ethyl 2-benzamido-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetate
CID 135314125
ethyl 2-benzamido-2-(2,4,6-trimethylphenyl)acetate
CID 72736950
ethyl (3S)-3-benzamido-2,2-difluoro-3-hydroxypropanoate
CID 2303395
ethyl 2-benzamido-2-(5-chlorothiophen-2-yl)acetate
CID 72734768
diethyl (2R,4S)-2-benzamido-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pentanedioate
CID 51669902
ethyl (2S,3R)-3-benzamido-2-methylbutanoate
CID 162414540

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzamido-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetate?
The IUPAC name of ethyl 2-benzamido-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetate (CID 56725807) is ethyl 2-benzamido-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-benzamido-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetate?
The canonical SMILES for ethyl 2-benzamido-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetate is CCOC(=O)C(NC(=O)c1ccccc1)c1nnc(C(F)(F)F)o1.
What is the InChIKey of ethyl 2-benzamido-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetate?
The InChIKey is KFQFBIOLUGZHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O4/c1-2-23-12(22)9(11-19-20-13(24-11)14(15,16)17)18-10(21)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,18,21).
What are the key properties of ethyl 2-benzamido-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetate?
ethyl 2-benzamido-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetate has a molecular weight of 343.26 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzamido-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetate is sourced from PubChem (CID 56725807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).