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

C28H25F3N4O3 — CID 46212336

IUPACN-[6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCC(C(O)c3ccccc3)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(37)33-21-11-12-22(32-17-21)35-15-13-19(14-16-35)23(36)18-7-3-1-4-8-18/h1-12,17,19,23,36H,13-16H2,(H,33,37)
InChIKeyQPNBQVSKPOLJDL-UHFFFAOYSA-N
MW522.53 g/mol
LogP5.96
Rot. Bonds6

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

N-[6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 46212336) has the molecular formula C28H25F3N4O3 and a molecular weight of 522.53 g/mol. Its IUPAC name is N-[6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID46212336
Molecular FormulaC28H25F3N4O3
Molecular Weight522.53 g/mol
Exact Mass522.19
IUPAC NameN-[6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCC(C(O)c3ccccc3)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(37)33-21-11-12-22(32-17-21)35-15-13-19(14-16-35)23(36)18-7-3-1-4-8-18/h1-12,17,19,23,36H,13-16H2,(H,33,37)
InChIKeyQPNBQVSKPOLJDL-UHFFFAOYSA-N
XLogP5.96
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.53
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 16757107
CID 16757107
CID 44528432
CID 44528432
CID 44346053
CID 44346053
CID 9804858
CID 9804858
CID 16069007
CID 16069007
CID 16112851
CID 16112851
CID 16757011
CID 16757011
CID 16757014
CID 16757014
CID 46208314
CID 46208314
CID 52936727
CID 52936727
CID 52936729
CID 52936729
CID 52936730
CID 52936730

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 46212336) is N-[6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is O=C(Nc1ccc(N2CCC(C(O)c3ccccc3)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F.
What is the InChIKey of N-[6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is QPNBQVSKPOLJDL-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(37)33-21-11-12-22(32-17-21)35-15-13-19(14-16-35)23(36)18-7-3-1-4-8-18/h1-12,17,19,23,36H,13-16H2,(H,33,37).
What are the key properties of N-[6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
N-[6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 522.53 g/mol, XLogP of 5.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46212336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).