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

C25H23F3N4O3 — CID 52936841

IUPACN-[6-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(C2CCN(C(=O)C3CC3)CC2)nc1)c1nc(-c2ccccc2)oc1C(F)(F)F
InChIInChI=1S/C25H23F3N4O3/c26-25(27,28)21-20(31-23(35-21)16-4-2-1-3-5-16)22(33)30-18-8-9-19(29-14-18)15-10-12-32(13-11-15)24(34)17-6-7-17/h1-5,8-9,14-15,17H,6-7,10-13H2,(H,30,33)
InChIKeyFORYYADAMCLJFG-UHFFFAOYSA-N
MW484.48 g/mol
LogP5.12
Rot. Bonds5

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

N-[6-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 52936841) has the molecular formula C25H23F3N4O3 and a molecular weight of 484.48 g/mol. Its IUPAC name is N-[6-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID52936841
Molecular FormulaC25H23F3N4O3
Molecular Weight484.48 g/mol
Exact Mass484.17
IUPAC NameN-[6-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(C2CCN(C(=O)C3CC3)CC2)nc1)c1nc(-c2ccccc2)oc1C(F)(F)F
InChIInChI=1S/C25H23F3N4O3/c26-25(27,28)21-20(31-23(35-21)16-4-2-1-3-5-16)22(33)30-18-8-9-19(29-14-18)15-10-12-32(13-11-15)24(34)17-6-7-17/h1-5,8-9,14-15,17H,6-7,10-13H2,(H,30,33)
InChIKeyFORYYADAMCLJFG-UHFFFAOYSA-N
XLogP5.12
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.48
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[6-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 52936841) is N-[6-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[6-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is O=C(Nc1ccc(C2CCN(C(=O)C3CC3)CC2)nc1)c1nc(-c2ccccc2)oc1C(F)(F)F.
What is the InChIKey of N-[6-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is FORYYADAMCLJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O3/c26-25(27,28)21-20(31-23(35-21)16-4-2-1-3-5-16)22(33)30-18-8-9-19(29-14-18)15-10-12-32(13-11-15)24(34)17-6-7-17/h1-5,8-9,14-15,17H,6-7,10-13H2,(H,30,33).
What are the key properties of N-[6-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-[6-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 484.48 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 52936841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).