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

C26H24F3N3O3 — CID 52936954

IUPACN-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(C2CCN(C(=O)C3CC3)CC2)cc1)c1nc(-c2ccccc2)oc1C(F)(F)F
InChIInChI=1S/C26H24F3N3O3/c27-26(28,29)22-21(31-24(35-22)18-4-2-1-3-5-18)23(33)30-20-10-8-16(9-11-20)17-12-14-32(15-13-17)25(34)19-6-7-19/h1-5,8-11,17,19H,6-7,12-15H2,(H,30,33)
InChIKeyRAAQQBQIMGEXBY-UHFFFAOYSA-N
MW483.49 g/mol
LogP5.73
Rot. Bonds5

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

N-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 52936954) has the molecular formula C26H24F3N3O3 and a molecular weight of 483.49 g/mol. Its IUPAC name is N-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID52936954
Molecular FormulaC26H24F3N3O3
Molecular Weight483.49 g/mol
Exact Mass483.18
IUPAC NameN-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(C2CCN(C(=O)C3CC3)CC2)cc1)c1nc(-c2ccccc2)oc1C(F)(F)F
InChIInChI=1S/C26H24F3N3O3/c27-26(28,29)22-21(31-24(35-22)18-4-2-1-3-5-18)23(33)30-20-10-8-16(9-11-20)17-12-14-32(15-13-17)25(34)19-6-7-19/h1-5,8-11,17,19H,6-7,12-15H2,(H,30,33)
InChIKeyRAAQQBQIMGEXBY-UHFFFAOYSA-N
XLogP5.73
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.49
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 52936954) is N-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is O=C(Nc1ccc(C2CCN(C(=O)C3CC3)CC2)cc1)c1nc(-c2ccccc2)oc1C(F)(F)F.
What is the InChIKey of N-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is RAAQQBQIMGEXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O3/c27-26(28,29)22-21(31-24(35-22)18-4-2-1-3-5-18)23(33)30-20-10-8-16(9-11-20)17-12-14-32(15-13-17)25(34)19-6-7-19/h1-5,8-11,17,19H,6-7,12-15H2,(H,30,33).
What are the key properties of N-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 483.49 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 52936954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).