2-(2-phenyl-1,3-oxazol-4-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide

C19H17F3N4O2 — CID 55617876

IUPAC2-(2-phenyl-1,3-oxazol-4-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
SMILESO=C(Cc1coc(-c2ccccc2)n1)NCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)14-6-7-16(25-11-14)23-8-9-24-17(27)10-15-12-28-18(26-15)13-4-2-1-3-5-13/h1-7,11-12H,8-10H2,(H,23,25)(H,24,27)
InChIKeyHWOAYWSEWYDBOP-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.53
Rot. Bonds7

About 2-(2-phenyl-1,3-oxazol-4-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide

2-(2-phenyl-1,3-oxazol-4-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide (PubChem CID 55617876) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 2-(2-phenyl-1,3-oxazol-4-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-phenyl-1,3-oxazol-4-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
PubChem CID55617876
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name2-(2-phenyl-1,3-oxazol-4-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
SMILESO=C(Cc1coc(-c2ccccc2)n1)NCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)14-6-7-16(25-11-14)23-8-9-24-17(27)10-15-12-28-18(26-15)13-4-2-1-3-5-13/h1-7,11-12H,8-10H2,(H,23,25)(H,24,27)
InChIKeyHWOAYWSEWYDBOP-UHFFFAOYSA-N
XLogP3.53
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-phenyl-1,3-oxazol-4-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 34810970
2-methyl-N-[2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]ethyl]propanamide
CID 39436445
2-(2-phenyl-1,3-oxazol-4-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 71888893
N-[2-(2-fluorophenyl)ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 39441204
4-methyl-2-phenyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 55617594
N-[2-(tert-butylamino)-2-oxoethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34201550
N-[2-(3-fluorophenyl)ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 29292797
2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 51122329
2-(2-methyl-1H-indol-3-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 46423302
4-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46423305
2-(2-chlorophenoxy)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 46423192
2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 55630083

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-1,3-oxazol-4-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The IUPAC name of 2-(2-phenyl-1,3-oxazol-4-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide (CID 55617876) is 2-(2-phenyl-1,3-oxazol-4-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(2-phenyl-1,3-oxazol-4-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The canonical SMILES for 2-(2-phenyl-1,3-oxazol-4-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide is O=C(Cc1coc(-c2ccccc2)n1)NCCNc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-(2-phenyl-1,3-oxazol-4-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The InChIKey is HWOAYWSEWYDBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c20-19(21,22)14-6-7-16(25-11-14)23-8-9-24-17(27)10-15-12-28-18(26-15)13-4-2-1-3-5-13/h1-7,11-12H,8-10H2,(H,23,25)(H,24,27).
What are the key properties of 2-(2-phenyl-1,3-oxazol-4-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
2-(2-phenyl-1,3-oxazol-4-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide has a molecular weight of 390.37 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-1,3-oxazol-4-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide is sourced from PubChem (CID 55617876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).