4-(1,2-oxazol-3-yl)-N-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]piperidine-1-carboxamide

C19H22F3N3O2 — CID 126825466

IUPAC4-(1,2-oxazol-3-yl)-N-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]piperidine-1-carboxamide
SMILESCC(C)(c1ccc(NC(=O)N2CCC(c3ccon3)CC2)cc1)C(F)(F)F
InChIInChI=1S/C19H22F3N3O2/c1-18(2,19(20,21)22)14-3-5-15(6-4-14)23-17(26)25-10-7-13(8-11-25)16-9-12-27-24-16/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,23,26)
InChIKeyGSTWMVNFVXTDTP-UHFFFAOYSA-N
MW381.40 g/mol
LogP4.93
Rot. Bonds3

About 4-(1,2-oxazol-3-yl)-N-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]piperidine-1-carboxamide

4-(1,2-oxazol-3-yl)-N-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]piperidine-1-carboxamide (PubChem CID 126825466) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 4-(1,2-oxazol-3-yl)-N-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1,2-oxazol-3-yl)-N-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]piperidine-1-carboxamide
PubChem CID126825466
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC Name4-(1,2-oxazol-3-yl)-N-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]piperidine-1-carboxamide
SMILESCC(C)(c1ccc(NC(=O)N2CCC(c3ccon3)CC2)cc1)C(F)(F)F
InChIInChI=1S/C19H22F3N3O2/c1-18(2,19(20,21)22)14-3-5-15(6-4-14)23-17(26)25-10-7-13(8-11-25)16-9-12-27-24-16/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,23,26)
InChIKeyGSTWMVNFVXTDTP-UHFFFAOYSA-N
XLogP4.93
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1,2-oxazol-3-yl)-N-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]piperidine-1-carboxamide with MolForge

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Related Compounds

4-(1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide
CID 146139777
4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4183406
N-[2-(methoxymethyl)pyrimidin-4-yl]-4-(1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 136553465
ethyl 6-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]pyridine-3-carboxylate
CID 135126252
N-(6-methoxy-2-methyl-3-pyridinyl)-3-(1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 138047057
3-(4-cyclopropyltriazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 121190700
4-(1,2-oxazol-3-yl)-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine-1-carboxamide
CID 138011509
N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769479
N-(4-fluorophenyl)-4-(5-methyl-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-2-yl)piperidine-1-carboxamide
CID 53165373
N-(4-tert-butylphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 90540275
N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide
CID 20630756
4-amino-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 16773171

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-oxazol-3-yl)-N-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(1,2-oxazol-3-yl)-N-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]piperidine-1-carboxamide (CID 126825466) is 4-(1,2-oxazol-3-yl)-N-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(1,2-oxazol-3-yl)-N-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(1,2-oxazol-3-yl)-N-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]piperidine-1-carboxamide is CC(C)(c1ccc(NC(=O)N2CCC(c3ccon3)CC2)cc1)C(F)(F)F.
What is the InChIKey of 4-(1,2-oxazol-3-yl)-N-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]piperidine-1-carboxamide?
The InChIKey is GSTWMVNFVXTDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c1-18(2,19(20,21)22)14-3-5-15(6-4-14)23-17(26)25-10-7-13(8-11-25)16-9-12-27-24-16/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,23,26).
What are the key properties of 4-(1,2-oxazol-3-yl)-N-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]piperidine-1-carboxamide?
4-(1,2-oxazol-3-yl)-N-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]piperidine-1-carboxamide has a molecular weight of 381.40 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-oxazol-3-yl)-N-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 126825466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).