5-(2-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-3-carboxamide

C17H16F4N2O2 — CID 55639151

IUPAC5-(2-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCCC1C(F)(F)F)c1cc(-c2ccccc2F)on1
InChIInChI=1S/C17H16F4N2O2/c18-12-7-3-1-5-10(12)15-9-14(23-25-15)16(24)22-13-8-4-2-6-11(13)17(19,20)21/h1,3,5,7,9,11,13H,2,4,6,8H2,(H,22,24)
InChIKeyQKAMHOAYGHEPFT-UHFFFAOYSA-N
MW356.32 g/mol
LogP4.33
Rot. Bonds3

About 5-(2-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-3-carboxamide

5-(2-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-3-carboxamide (PubChem CID 55639151) has the molecular formula C17H16F4N2O2 and a molecular weight of 356.32 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-3-carboxamide
PubChem CID55639151
Molecular FormulaC17H16F4N2O2
Molecular Weight356.32 g/mol
Exact Mass356.11
IUPAC Name5-(2-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCCC1C(F)(F)F)c1cc(-c2ccccc2F)on1
InChIInChI=1S/C17H16F4N2O2/c18-12-7-3-1-5-10(12)15-9-14(23-25-15)16(24)22-13-8-4-2-6-11(13)17(19,20)21/h1,3,5,7,9,11,13H,2,4,6,8H2,(H,22,24)
InChIKeyQKAMHOAYGHEPFT-UHFFFAOYSA-N
XLogP4.33
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.32
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 94828983
N-[4-(cyclopropylcarbamoylamino)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 37342518
N-(3-carbamoyl-2-bicyclo[2.2.1]heptanyl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 154749020
5-(2-fluorophenyl)-N-phenyl-1,2-oxazole-3-carboxamide
CID 46480950
6-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide
CID 103874213
5-(2-fluorophenyl)-N,N-dimethyl-1,2-oxazole-3-carboxamide
CID 37338212
N-(oxan-4-yl)-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 126811277
(3S,4S)-4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylic acid
CID 134211654
5-(2-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-3-carboxamide
CID 111482143
[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95302784
N-[(1S,2S)-2-hydroxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 104957384
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 55637295

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-3-carboxamide (CID 55639151) is 5-(2-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-3-carboxamide is O=C(NC1CCCCC1C(F)(F)F)c1cc(-c2ccccc2F)on1.
What is the InChIKey of 5-(2-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-3-carboxamide?
The InChIKey is QKAMHOAYGHEPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N2O2/c18-12-7-3-1-5-10(12)15-9-14(23-25-15)16(24)22-13-8-4-2-6-11(13)17(19,20)21/h1,3,5,7,9,11,13H,2,4,6,8H2,(H,22,24).
What are the key properties of 5-(2-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-3-carboxamide?
5-(2-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-3-carboxamide has a molecular weight of 356.32 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55639151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).