1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-3-carboxamide

C24H19F6N3O3 — CID 71682206

IUPAC1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2cnco2)c1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C24H19F6N3O3/c25-23(26,27)17-7-16(8-18(10-17)24(28,29)30)22(35)33-6-2-4-15(12-33)21(34)32-19-5-1-3-14(9-19)20-11-31-13-36-20/h1,3,5,7-11,13,15H,2,4,6,12H2,(H,32,34)
InChIKeyKOXDICXZAUEDEM-UHFFFAOYSA-N
MW511.42 g/mol
LogP5.87
Rot. Bonds4

About 1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-3-carboxamide

1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-3-carboxamide (PubChem CID 71682206) has the molecular formula C24H19F6N3O3 and a molecular weight of 511.42 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-3-carboxamide
PubChem CID71682206
Molecular FormulaC24H19F6N3O3
Molecular Weight511.42 g/mol
Exact Mass511.13
IUPAC Name1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2cnco2)c1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C24H19F6N3O3/c25-23(26,27)17-7-16(8-18(10-17)24(28,29)30)22(35)33-6-2-4-15(12-33)21(34)32-19-5-1-3-14(9-19)20-11-31-13-36-20/h1,3,5,7-11,13,15H,2,4,6,12H2,(H,32,34)
InChIKeyKOXDICXZAUEDEM-UHFFFAOYSA-N
XLogP5.87
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.42
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-3-carboxamide (CID 71682206) is 1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-3-carboxamide is O=C(Nc1cccc(-c2cnco2)c1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is KOXDICXZAUEDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F6N3O3/c25-23(26,27)17-7-16(8-18(10-17)24(28,29)30)22(35)33-6-2-4-15(12-33)21(34)32-19-5-1-3-14(9-19)20-11-31-13-36-20/h1,3,5,7-11,13,15H,2,4,6,12H2,(H,32,34).
What are the key properties of 1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-3-carboxamide?
1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 511.42 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 71682206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).