2-(1-methylimidazol-2-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide

C16H14F3N5O2 — CID 119071610

IUPAC2-(1-methylimidazol-2-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
SMILESCn1ccnc1-c1ccccc1C(=O)NCCc1noc(C(F)(F)F)n1
InChIInChI=1S/C16H14F3N5O2/c1-24-9-8-20-13(24)10-4-2-3-5-11(10)14(25)21-7-6-12-22-15(26-23-12)16(17,18)19/h2-5,8-9H,6-7H2,1H3,(H,21,25)
InChIKeyGPLYGCOTOYUYIM-UHFFFAOYSA-N
MW365.32 g/mol
LogP2.46
Rot. Bonds5

About 2-(1-methylimidazol-2-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide

2-(1-methylimidazol-2-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide (PubChem CID 119071610) has the molecular formula C16H14F3N5O2 and a molecular weight of 365.32 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
PubChem CID119071610
Molecular FormulaC16H14F3N5O2
Molecular Weight365.32 g/mol
Exact Mass365.11
IUPAC Name2-(1-methylimidazol-2-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
SMILESCn1ccnc1-c1ccccc1C(=O)NCCc1noc(C(F)(F)F)n1
InChIInChI=1S/C16H14F3N5O2/c1-24-9-8-20-13(24)10-4-2-3-5-11(10)14(25)21-7-6-12-22-15(26-23-12)16(17,18)19/h2-5,8-9H,6-7H2,1H3,(H,21,25)
InChIKeyGPLYGCOTOYUYIM-UHFFFAOYSA-N
XLogP2.46
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]indole-3-carboxamide
CID 90648306
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylbenzamide
CID 110294288
2-(1-methylimidazol-2-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide
CID 56723308
2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61215487
(1R)-2,2-dimethyl-1-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]cyclopropane-1-carboxamide
CID 126430017
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 110311138
(1S)-2,2-dimethyl-1-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]cyclopropane-1-carboxamide
CID 126430016
2-fluoro-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 91917633
2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 46981446
3-tert-butyl-N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 110632715
N-[2-(2-ethylimidazol-1-yl)ethyl]-2-(4-fluorophenyl)benzamide
CID 91785685
2-(2-phenylimidazol-1-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 72927386

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
The IUPAC name of 2-(1-methylimidazol-2-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide (CID 119071610) is 2-(1-methylimidazol-2-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide is Cn1ccnc1-c1ccccc1C(=O)NCCc1noc(C(F)(F)F)n1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
The InChIKey is GPLYGCOTOYUYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O2/c1-24-9-8-20-13(24)10-4-2-3-5-11(10)14(25)21-7-6-12-22-15(26-23-12)16(17,18)19/h2-5,8-9H,6-7H2,1H3,(H,21,25).
What are the key properties of 2-(1-methylimidazol-2-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
2-(1-methylimidazol-2-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide has a molecular weight of 365.32 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide is sourced from PubChem (CID 119071610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).