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

C24H23F3N4O3 — CID 58428877

IUPACN-[4-(6-acetyl-3-pyridinyl)phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(NC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)cc2)cn1
InChIInChI=1S/C24H23F3N4O3/c1-14-4-3-11-31(13-14)23-30-21(24(25,26)27)20(34-23)22(33)29-18-8-5-16(6-9-18)17-7-10-19(15(2)32)28-12-17/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,29,33)
InChIKeyRSXDBMXSYOTHDF-UHFFFAOYSA-N
MW472.47 g/mol
LogP5.45
Rot. Bonds5

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

N-[4-(6-acetyl-3-pyridinyl)phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 58428877) has the molecular formula C24H23F3N4O3 and a molecular weight of 472.47 g/mol. Its IUPAC name is N-[4-(6-acetyl-3-pyridinyl)phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(6-acetyl-3-pyridinyl)phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID58428877
Molecular FormulaC24H23F3N4O3
Molecular Weight472.47 g/mol
Exact Mass472.17
IUPAC NameN-[4-(6-acetyl-3-pyridinyl)phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(NC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)cc2)cn1
InChIInChI=1S/C24H23F3N4O3/c1-14-4-3-11-31(13-14)23-30-21(24(25,26)27)20(34-23)22(33)29-18-8-5-16(6-9-18)17-7-10-19(15(2)32)28-12-17/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,29,33)
InChIKeyRSXDBMXSYOTHDF-UHFFFAOYSA-N
XLogP5.45
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.47
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-acetyl-3-pyridinyl)phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[4-(6-acetyl-3-pyridinyl)phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 58428877) is N-[4-(6-acetyl-3-pyridinyl)phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(6-acetyl-3-pyridinyl)phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(6-acetyl-3-pyridinyl)phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is CC(=O)c1ccc(-c2ccc(NC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)cc2)cn1.
What is the InChIKey of N-[4-(6-acetyl-3-pyridinyl)phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is RSXDBMXSYOTHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O3/c1-14-4-3-11-31(13-14)23-30-21(24(25,26)27)20(34-23)22(33)29-18-8-5-16(6-9-18)17-7-10-19(15(2)32)28-12-17/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,29,33).
What are the key properties of N-[4-(6-acetyl-3-pyridinyl)phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
N-[4-(6-acetyl-3-pyridinyl)phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 472.47 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-acetyl-3-pyridinyl)phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 58428877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).