1,3-oxazole-2-carboxamide;1-[4-(trifluoromethyl)phenyl]piperidine

C16H18F3N3O2 — CID 161071740

IUPAC1,3-oxazole-2-carboxamide;1-[4-(trifluoromethyl)phenyl]piperidine
SMILESFC(F)(F)c1ccc(N2CCCCC2)cc1.NC(=O)c1ncco1
InChIInChI=1S/C12H14F3N.C4H4N2O2/c13-12(14,15)10-4-6-11(7-5-10)16-8-2-1-3-9-16;5-3(7)4-6-1-2-8-4/h4-7H,1-3,8-9H2;1-2H,(H2,5,7)
InChIKeyUETCNMJOZDCXHU-UHFFFAOYSA-N
MW341.33 g/mol
LogP3.47
Rot. Bonds2

About 1,3-oxazole-2-carboxamide;1-[4-(trifluoromethyl)phenyl]piperidine

1,3-oxazole-2-carboxamide;1-[4-(trifluoromethyl)phenyl]piperidine (PubChem CID 161071740) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 1,3-oxazole-2-carboxamide;1-[4-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name1,3-oxazole-2-carboxamide;1-[4-(trifluoromethyl)phenyl]piperidine
PubChem CID161071740
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC Name1,3-oxazole-2-carboxamide;1-[4-(trifluoromethyl)phenyl]piperidine
SMILESFC(F)(F)c1ccc(N2CCCCC2)cc1.NC(=O)c1ncco1
InChIInChI=1S/C12H14F3N.C4H4N2O2/c13-12(14,15)10-4-6-11(7-5-10)16-8-2-1-3-9-16;5-3(7)4-6-1-2-8-4/h4-7H,1-3,8-9H2;1-2H,(H2,5,7)
InChIKeyUETCNMJOZDCXHU-UHFFFAOYSA-N
XLogP3.47
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(4-(oxazol-4-ylmethyl)piperazin-1-yl)-5-(trifluoro-methyl)phenyl)oxazole-2-carboxamide
CID 129032666
N-(3,5-difluorophenyl)-2-[4-(1,3-oxazol-2-yl)piperidin-1-yl]acetamide
CID 136563193
4-isocyano-N-(1,3-oxazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline
CID 57771157
[4-Fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1,3-oxazol-2-yl)methanone
CID 68862097
4-[1,3-Oxazol-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile
CID 87629180
[4-[5-Hydroxy-1-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidin-3-yl]piperidin-1-yl]-(1,3-oxazol-2-yl)methanone
CID 123904764
N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 156140815
N-[4-[2-[(3R)-4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide
CID 156704296
N-[4-ethyl-3-[4-(trifluoromethyl)anilino]sulfanylphenyl]-1,3-oxazole-2-carboxamide
CID 156859712
3-Ethyl-1-[3-fluoro-4-[4-[isocyano(1,3-oxazol-2-yl)methyl]piperazin-1-yl]phenyl]pentan-2-one
CID 158817229
N-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide
CID 175603533
N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-2-carboxamide
CID 176108621

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazole-2-carboxamide;1-[4-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 1,3-oxazole-2-carboxamide;1-[4-(trifluoromethyl)phenyl]piperidine (CID 161071740) is 1,3-oxazole-2-carboxamide;1-[4-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 1,3-oxazole-2-carboxamide;1-[4-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 1,3-oxazole-2-carboxamide;1-[4-(trifluoromethyl)phenyl]piperidine is FC(F)(F)c1ccc(N2CCCCC2)cc1.NC(=O)c1ncco1.
What is the InChIKey of 1,3-oxazole-2-carboxamide;1-[4-(trifluoromethyl)phenyl]piperidine?
The InChIKey is UETCNMJOZDCXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N.C4H4N2O2/c13-12(14,15)10-4-6-11(7-5-10)16-8-2-1-3-9-16;5-3(7)4-6-1-2-8-4/h4-7H,1-3,8-9H2;1-2H,(H2,5,7).
What are the key properties of 1,3-oxazole-2-carboxamide;1-[4-(trifluoromethyl)phenyl]piperidine?
1,3-oxazole-2-carboxamide;1-[4-(trifluoromethyl)phenyl]piperidine has a molecular weight of 341.33 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazole-2-carboxamide;1-[4-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 161071740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).