ethyl 2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl-(2,2,2-trifluoroethyl)amino]acetate

C16H17F3N4O4 — CID 52804139

IUPACethyl 2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl-(2,2,2-trifluoroethyl)amino]acetate
SMILESCCOC(=O)CN(CC(F)(F)F)C(=O)CCc1nc(-c2cccnc2)no1
InChIInChI=1S/C16H17F3N4O4/c1-2-26-14(25)9-23(10-16(17,18)19)13(24)6-5-12-21-15(22-27-12)11-4-3-7-20-8-11/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyAZCFAAGYVYKRSD-UHFFFAOYSA-N
MW386.33 g/mol
LogP2.02
Rot. Bonds8

About ethyl 2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl-(2,2,2-trifluoroethyl)amino]acetate

ethyl 2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl-(2,2,2-trifluoroethyl)amino]acetate (PubChem CID 52804139) has the molecular formula C16H17F3N4O4 and a molecular weight of 386.33 g/mol. Its IUPAC name is ethyl 2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl-(2,2,2-trifluoroethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl-(2,2,2-trifluoroethyl)amino]acetate
PubChem CID52804139
Molecular FormulaC16H17F3N4O4
Molecular Weight386.33 g/mol
Exact Mass386.12
IUPAC Nameethyl 2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl-(2,2,2-trifluoroethyl)amino]acetate
SMILESCCOC(=O)CN(CC(F)(F)F)C(=O)CCc1nc(-c2cccnc2)no1
InChIInChI=1S/C16H17F3N4O4/c1-2-26-14(25)9-23(10-16(17,18)19)13(24)6-5-12-21-15(22-27-12)11-4-3-7-20-8-11/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyAZCFAAGYVYKRSD-UHFFFAOYSA-N
XLogP2.02
TPSA98.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl-(2,2,2-trifluoroethyl)amino]acetate with MolForge

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Related Compounds

N-benzyl-N-ethyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 53047532
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 3159643
methyl 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474655
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetamide
CID 173127874
N-prop-2-ynyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46471626
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide
CID 55982850
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 55568956
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide
CID 78835277
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 3-[(2-methylbenzoyl)amino]propanoate
CID 55568394
N-(5-fluoro-2-methylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46459911
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 55563076
4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 51233758

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl-(2,2,2-trifluoroethyl)amino]acetate?
The IUPAC name of ethyl 2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl-(2,2,2-trifluoroethyl)amino]acetate (CID 52804139) is ethyl 2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl-(2,2,2-trifluoroethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl-(2,2,2-trifluoroethyl)amino]acetate?
The canonical SMILES for ethyl 2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl-(2,2,2-trifluoroethyl)amino]acetate is CCOC(=O)CN(CC(F)(F)F)C(=O)CCc1nc(-c2cccnc2)no1.
What is the InChIKey of ethyl 2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl-(2,2,2-trifluoroethyl)amino]acetate?
The InChIKey is AZCFAAGYVYKRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O4/c1-2-26-14(25)9-23(10-16(17,18)19)13(24)6-5-12-21-15(22-27-12)11-4-3-7-20-8-11/h3-4,7-8H,2,5-6,9-10H2,1H3.
What are the key properties of ethyl 2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl-(2,2,2-trifluoroethyl)amino]acetate?
ethyl 2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl-(2,2,2-trifluoroethyl)amino]acetate has a molecular weight of 386.33 g/mol, XLogP of 2.02, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl-(2,2,2-trifluoroethyl)amino]acetate is sourced from PubChem (CID 52804139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).