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

C14H14F3N5O4 — CID 135326290

IUPACethyl 2-[methylcarbamoyl-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)NC)c1ccc(-c2noc(C(F)(F)F)n2)cn1
InChIInChI=1S/C14H14F3N5O4/c1-3-25-10(23)7-22(13(24)18-2)9-5-4-8(6-19-9)11-20-12(26-21-11)14(15,16)17/h4-6H,3,7H2,1-2H3,(H,18,24)
InChIKeyHNXPUZJSMKPJNI-UHFFFAOYSA-N
MW373.29 g/mol
LogP1.86
Rot. Bonds5

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

ethyl 2-[methylcarbamoyl-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]acetate (PubChem CID 135326290) has the molecular formula C14H14F3N5O4 and a molecular weight of 373.29 g/mol. Its IUPAC name is ethyl 2-[methylcarbamoyl-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methylcarbamoyl-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]acetate
PubChem CID135326290
Molecular FormulaC14H14F3N5O4
Molecular Weight373.29 g/mol
Exact Mass373.10
IUPAC Nameethyl 2-[methylcarbamoyl-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)NC)c1ccc(-c2noc(C(F)(F)F)n2)cn1
InChIInChI=1S/C14H14F3N5O4/c1-3-25-10(23)7-22(13(24)18-2)9-5-4-8(6-19-9)11-20-12(26-21-11)14(15,16)17/h4-6H,3,7H2,1-2H3,(H,18,24)
InChIKeyHNXPUZJSMKPJNI-UHFFFAOYSA-N
XLogP1.86
TPSA110.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methoxy-2-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide
CID 158004258
N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide
CID 129116524
ethyl 2-[[ethyl-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]carbamoyl]-methylamino]acetate
CID 146521241
N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71230676
ethyl 2-oxo-2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]acetate
CID 129285064
ethyl N-methoxy-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamate
CID 153313569
N',N'-dimethyl-N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]oxamide
CID 137366751
ethyl 5-[3-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]oxy]propyl]-1,2-oxazole-3-carboxylate
CID 162668207
ethyl 5-methyl-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]imidazole-4-carboxylate
CID 139532664
3-methoxy-1-methyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea
CID 146521115
1-ethoxy-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea
CID 153399218
2-[[methoxy-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]carbamoyl]-methylamino]-N-methylacetamide
CID 146521232

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methylcarbamoyl-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]acetate?
The IUPAC name of ethyl 2-[methylcarbamoyl-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]acetate (CID 135326290) is ethyl 2-[methylcarbamoyl-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]acetate.
What is the SMILES notation for ethyl 2-[methylcarbamoyl-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]acetate?
The canonical SMILES for ethyl 2-[methylcarbamoyl-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]acetate is CCOC(=O)CN(C(=O)NC)c1ccc(-c2noc(C(F)(F)F)n2)cn1.
What is the InChIKey of ethyl 2-[methylcarbamoyl-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]acetate?
The InChIKey is HNXPUZJSMKPJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O4/c1-3-25-10(23)7-22(13(24)18-2)9-5-4-8(6-19-9)11-20-12(26-21-11)14(15,16)17/h4-6H,3,7H2,1-2H3,(H,18,24).
What are the key properties of ethyl 2-[methylcarbamoyl-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]acetate?
ethyl 2-[methylcarbamoyl-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]acetate has a molecular weight of 373.29 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methylcarbamoyl-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]acetate is sourced from PubChem (CID 135326290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).