N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]-3-(trifluoromethyl)pyridine-2-carboxamide

C28H23F3N4O3 — CID 171681204

IUPACN-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C2CCN(C(=O)c3cccc(-c4cnco4)c3)CC2)cc1)c1ncccc1C(F)(F)F
InChIInChI=1S/C28H23F3N4O3/c29-28(30,31)23-5-2-12-33-25(23)26(36)34-22-8-6-18(7-9-22)19-10-13-35(14-11-19)27(37)21-4-1-3-20(15-21)24-16-32-17-38-24/h1-9,12,15-17,19H,10-11,13-14H2,(H,34,36)
InChIKeyDKRGINFJWPODLF-UHFFFAOYSA-N
MW520.51 g/mol
LogP6.03
Rot. Bonds5

About N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]-3-(trifluoromethyl)pyridine-2-carboxamide

N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]-3-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 171681204) has the molecular formula C28H23F3N4O3 and a molecular weight of 520.51 g/mol. Its IUPAC name is N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]-3-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]-3-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID171681204
Molecular FormulaC28H23F3N4O3
Molecular Weight520.51 g/mol
Exact Mass520.17
IUPAC NameN-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C2CCN(C(=O)c3cccc(-c4cnco4)c3)CC2)cc1)c1ncccc1C(F)(F)F
InChIInChI=1S/C28H23F3N4O3/c29-28(30,31)23-5-2-12-33-25(23)26(36)34-22-8-6-18(7-9-22)19-10-13-35(14-11-19)27(37)21-4-1-3-20(15-21)24-16-32-17-38-24/h1-9,12,15-17,19H,10-11,13-14H2,(H,34,36)
InChIKeyDKRGINFJWPODLF-UHFFFAOYSA-N
XLogP6.03
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.51
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]-3-(trifluoromethyl)pyridine-2-carboxamide (CID 171681204) is N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]-3-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]-3-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1ccc(C2CCN(C(=O)c3cccc(-c4cnco4)c3)CC2)cc1)c1ncccc1C(F)(F)F.
What is the InChIKey of N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is DKRGINFJWPODLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F3N4O3/c29-28(30,31)23-5-2-12-33-25(23)26(36)34-22-8-6-18(7-9-22)19-10-13-35(14-11-19)27(37)21-4-1-3-20(15-21)24-16-32-17-38-24/h1-9,12,15-17,19H,10-11,13-14H2,(H,34,36).
What are the key properties of N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]-3-(trifluoromethyl)pyridine-2-carboxamide?
N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]-3-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 520.51 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]-3-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 171681204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).