2-phenyl-N-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C28H25F3N4O3 — CID 46212335

IUPAC2-phenyl-N-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCC(OCc3ccccc3)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C28H25F3N4O3/c29-28(30,31)25-24(38-27(34-25)20-9-5-2-6-10-20)26(36)33-21-11-12-23(32-17-21)35-15-13-22(14-16-35)37-18-19-7-3-1-4-8-19/h1-12,17,22H,13-16,18H2,(H,33,36)
InChIKeyFVHVOQQEGFHUNY-UHFFFAOYSA-N
MW522.53 g/mol
LogP6.19
Rot. Bonds7

About 2-phenyl-N-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

2-phenyl-N-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 46212335) has the molecular formula C28H25F3N4O3 and a molecular weight of 522.53 g/mol. Its IUPAC name is 2-phenyl-N-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID46212335
Molecular FormulaC28H25F3N4O3
Molecular Weight522.53 g/mol
Exact Mass522.19
IUPAC Name2-phenyl-N-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCC(OCc3ccccc3)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C28H25F3N4O3/c29-28(30,31)25-24(38-27(34-25)20-9-5-2-6-10-20)26(36)33-21-11-12-23(32-17-21)35-15-13-22(14-16-35)37-18-19-7-3-1-4-8-19/h1-12,17,22H,13-16,18H2,(H,33,36)
InChIKeyFVHVOQQEGFHUNY-UHFFFAOYSA-N
XLogP6.19
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.53
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-phenyl-N-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 46212335) is 2-phenyl-N-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-phenyl-N-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-phenyl-N-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is O=C(Nc1ccc(N2CCC(OCc3ccccc3)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F.
What is the InChIKey of 2-phenyl-N-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is FVHVOQQEGFHUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N4O3/c29-28(30,31)25-24(38-27(34-25)20-9-5-2-6-10-20)26(36)33-21-11-12-23(32-17-21)35-15-13-22(14-16-35)37-18-19-7-3-1-4-8-19/h1-12,17,22H,13-16,18H2,(H,33,36).
What are the key properties of 2-phenyl-N-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
2-phenyl-N-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 522.53 g/mol, XLogP of 6.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46212335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).