N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide

C29H25F3N4O3 — CID 171683324

IUPACN-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)n1)Nc1ccc(C2CCN(C(=O)c3cccc(-c4cnco4)c3)CC2)cc1
InChIInChI=1S/C29H25F3N4O3/c30-29(31,32)26-6-2-5-24(34-26)16-27(37)35-23-9-7-19(8-10-23)20-11-13-36(14-12-20)28(38)22-4-1-3-21(15-22)25-17-33-18-39-25/h1-10,15,17-18,20H,11-14,16H2,(H,35,37)
InChIKeyZWAPIRXNNOAUDF-UHFFFAOYSA-N
MW534.54 g/mol
LogP5.96
Rot. Bonds6

About N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide

N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 171683324) has the molecular formula C29H25F3N4O3 and a molecular weight of 534.54 g/mol. Its IUPAC name is N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID171683324
Molecular FormulaC29H25F3N4O3
Molecular Weight534.54 g/mol
Exact Mass534.19
IUPAC NameN-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)n1)Nc1ccc(C2CCN(C(=O)c3cccc(-c4cnco4)c3)CC2)cc1
InChIInChI=1S/C29H25F3N4O3/c30-29(31,32)26-6-2-5-24(34-26)16-27(37)35-23-9-7-19(8-10-23)20-11-13-36(14-12-20)28(38)22-4-1-3-21(15-22)25-17-33-18-39-25/h1-10,15,17-18,20H,11-14,16H2,(H,35,37)
InChIKeyZWAPIRXNNOAUDF-UHFFFAOYSA-N
XLogP5.96
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.54
LogP ≤ 55.96
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]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide (CID 171683324) is N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide is O=C(Cc1cccc(C(F)(F)F)n1)Nc1ccc(C2CCN(C(=O)c3cccc(-c4cnco4)c3)CC2)cc1.
What is the InChIKey of N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is ZWAPIRXNNOAUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F3N4O3/c30-29(31,32)26-6-2-5-24(34-26)16-27(37)35-23-9-7-19(8-10-23)20-11-13-36(14-12-20)28(38)22-4-1-3-21(15-22)25-17-33-18-39-25/h1-10,15,17-18,20H,11-14,16H2,(H,35,37).
What are the key properties of N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 534.54 g/mol, XLogP of 5.96, 6 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]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 171683324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).