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

C25H28F3N5O2 — CID 46209010

IUPAC2-(diethylamino)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCCN(CC)c1nc(C(F)(F)F)c(C(=O)Nc2ccc(N3CCC(c4ccccc4)CC3)nc2)o1
InChIInChI=1S/C25H28F3N5O2/c1-3-32(4-2)24-31-22(25(26,27)28)21(35-24)23(34)30-19-10-11-20(29-16-19)33-14-12-18(13-15-33)17-8-6-5-7-9-17/h5-11,16,18H,3-4,12-15H2,1-2H3,(H,30,34)
InChIKeyHJWPWIGDHWVEPC-UHFFFAOYSA-N
MW487.53 g/mol
LogP5.57
Rot. Bonds7

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

2-(diethylamino)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 46209010) has the molecular formula C25H28F3N5O2 and a molecular weight of 487.53 g/mol. Its IUPAC name is 2-(diethylamino)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID46209010
Molecular FormulaC25H28F3N5O2
Molecular Weight487.53 g/mol
Exact Mass487.22
IUPAC Name2-(diethylamino)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCCN(CC)c1nc(C(F)(F)F)c(C(=O)Nc2ccc(N3CCC(c4ccccc4)CC3)nc2)o1
InChIInChI=1S/C25H28F3N5O2/c1-3-32(4-2)24-31-22(25(26,27)28)21(35-24)23(34)30-19-10-11-20(29-16-19)33-14-12-18(13-15-33)17-8-6-5-7-9-17/h5-11,16,18H,3-4,12-15H2,1-2H3,(H,30,34)
InChIKeyHJWPWIGDHWVEPC-UHFFFAOYSA-N
XLogP5.57
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.53
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-(diethylamino)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 46209010) is 2-(diethylamino)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-(diethylamino)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-(diethylamino)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is CCN(CC)c1nc(C(F)(F)F)c(C(=O)Nc2ccc(N3CCC(c4ccccc4)CC3)nc2)o1.
What is the InChIKey of 2-(diethylamino)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is HJWPWIGDHWVEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N5O2/c1-3-32(4-2)24-31-22(25(26,27)28)21(35-24)23(34)30-19-10-11-20(29-16-19)33-14-12-18(13-15-33)17-8-6-5-7-9-17/h5-11,16,18H,3-4,12-15H2,1-2H3,(H,30,34).
What are the key properties of 2-(diethylamino)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
2-(diethylamino)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 487.53 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46209010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).