4-(5-amino-1,2-oxazol-3-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C16H17F3N4O2 — CID 53146615

IUPAC4-(5-amino-1,2-oxazol-3-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESNc1cc(C2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)no1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)11-3-1-2-4-12(11)21-15(24)23-7-5-10(6-8-23)13-9-14(20)25-22-13/h1-4,9-10H,5-8,20H2,(H,21,24)
InChIKeyXBDUYTARIRCGRJ-UHFFFAOYSA-N
MW354.33 g/mol
LogP3.69
Rot. Bonds2

About 4-(5-amino-1,2-oxazol-3-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

4-(5-amino-1,2-oxazol-3-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 53146615) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 4-(5-amino-1,2-oxazol-3-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-amino-1,2-oxazol-3-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID53146615
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name4-(5-amino-1,2-oxazol-3-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESNc1cc(C2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)no1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)11-3-1-2-4-12(11)21-15(24)23-7-5-10(6-8-23)13-9-14(20)25-22-13/h1-4,9-10H,5-8,20H2,(H,21,24)
InChIKeyXBDUYTARIRCGRJ-UHFFFAOYSA-N
XLogP3.69
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,6-bis(1-methylethyl)phenyl]-N'-(3-dodecyl-5-isoxazolyl)urea
CID 10004175
1-(2,6-Diisopropyl-phenyl)-3-(3-tetradecyl-isoxazol-5-yl)-urea
CID 10624692
1-(2,6-Diisopropyl-phenyl)-3-(3-tridecyl-isoxazol-5-yl)-urea
CID 10838072
1-(3-Decyl-isoxazol-5-yl)-3-(2,6-diisopropyl-phenyl)-urea
CID 11796760
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide
CID 164536838
3-{1-[(3-ethyl-5-methyl-4-isoxazolyl)carbonyl]-4-piperidinyl}-N-(3-methylphenyl)propanamide
CID 24790057
1-(3-tert-Butyl-isoxazol-5-yl)-3-(4-trifluoromethyl-phenyl)-urea
CID 44304740
N-[(5-methyl-3-phenyl-4-isoxazolyl)methyl]-N'-[4-(trifluoromethyl)phenyl]urea
CID 2738200
US10590075, Example 20
CID 129285400
US10590075, Example 21
CID 129301747
US11370784, Example 73
CID 134418901
1-Cyano-N-(3-phenylisoxazol-5-yl)piperidine-3-carboxamide
CID 141758394

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1,2-oxazol-3-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(5-amino-1,2-oxazol-3-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 53146615) is 4-(5-amino-1,2-oxazol-3-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(5-amino-1,2-oxazol-3-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(5-amino-1,2-oxazol-3-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is Nc1cc(C2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)no1.
What is the InChIKey of 4-(5-amino-1,2-oxazol-3-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is XBDUYTARIRCGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c17-16(18,19)11-3-1-2-4-12(11)21-15(24)23-7-5-10(6-8-23)13-9-14(20)25-22-13/h1-4,9-10H,5-8,20H2,(H,21,24).
What are the key properties of 4-(5-amino-1,2-oxazol-3-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-(5-amino-1,2-oxazol-3-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1,2-oxazol-3-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 53146615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).