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

C14H14F3N3O2 — CID 138004783

IUPACN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCCc1cc(CNC(=O)Cc2cnccc2C(F)(F)F)on1
InChIInChI=1S/C14H14F3N3O2/c1-2-10-6-11(22-20-10)8-19-13(21)5-9-7-18-4-3-12(9)14(15,16)17/h3-4,6-7H,2,5,8H2,1H3,(H,19,21)
InChIKeyDGJCGFZECHJOGV-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.51
Rot. Bonds5

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

N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 138004783) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID138004783
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCCc1cc(CNC(=O)Cc2cnccc2C(F)(F)F)on1
InChIInChI=1S/C14H14F3N3O2/c1-2-10-6-11(22-20-10)8-19-13(21)5-9-7-18-4-3-12(9)14(15,16)17/h3-4,6-7H,2,5,8H2,1H3,(H,19,21)
InChIKeyDGJCGFZECHJOGV-UHFFFAOYSA-N
XLogP2.51
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyridin-3-ylacetamide
CID 91770070
1-[4-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 115009240
4-[3-[(3-ethyl-1,2-oxazol-5-yl)methylamino]-3-oxopropyl]benzoic acid
CID 75469101
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide
CID 46968495
1-[[2-[4-(trifluoromethyl)-3-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 166241496
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 46968640
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 46968579
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
CID 71924354
5-morpholin-4-yl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 136554169
N-[1-(3-cyanophenyl)cyclopropyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide
CID 122153691
N-ethyl-3-(trifluoromethyl)pyridine-4-carboxamide
CID 142421392
4-(trifluoromethyl)-N-trimethylsilylpyridine-3-carboxamide
CID 170555219

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide (CID 138004783) is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide is CCc1cc(CNC(=O)Cc2cnccc2C(F)(F)F)on1.
What is the InChIKey of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is DGJCGFZECHJOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-2-10-6-11(22-20-10)8-19-13(21)5-9-7-18-4-3-12(9)14(15,16)17/h3-4,6-7H,2,5,8H2,1H3,(H,19,21).
What are the key properties of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide?
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 313.28 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 138004783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).