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

C25H26F3N5O2 — CID 46208789

IUPACN-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCC(c3ccccc3)CC2)nc1)c1oc(N2CCCC2)nc1C(F)(F)F
InChIInChI=1S/C25H26F3N5O2/c26-25(27,28)22-21(35-24(31-22)33-12-4-5-13-33)23(34)30-19-8-9-20(29-16-19)32-14-10-18(11-15-32)17-6-2-1-3-7-17/h1-3,6-9,16,18H,4-5,10-15H2,(H,30,34)
InChIKeyOSRHSABNIIZWCE-UHFFFAOYSA-N
MW485.51 g/mol
LogP5.32
Rot. Bonds5

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

N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 46208789) has the molecular formula C25H26F3N5O2 and a molecular weight of 485.51 g/mol. Its IUPAC name is N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID46208789
Molecular FormulaC25H26F3N5O2
Molecular Weight485.51 g/mol
Exact Mass485.20
IUPAC NameN-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCC(c3ccccc3)CC2)nc1)c1oc(N2CCCC2)nc1C(F)(F)F
InChIInChI=1S/C25H26F3N5O2/c26-25(27,28)22-21(35-24(31-22)33-12-4-5-13-33)23(34)30-19-8-9-20(29-16-19)32-14-10-18(11-15-32)17-6-2-1-3-7-17/h1-3,6-9,16,18H,4-5,10-15H2,(H,30,34)
InChIKeyOSRHSABNIIZWCE-UHFFFAOYSA-N
XLogP5.32
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.51
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 46208789) is N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is O=C(Nc1ccc(N2CCC(c3ccccc3)CC2)nc1)c1oc(N2CCCC2)nc1C(F)(F)F.
What is the InChIKey of N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is OSRHSABNIIZWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O2/c26-25(27,28)22-21(35-24(31-22)33-12-4-5-13-33)23(34)30-19-8-9-20(29-16-19)32-14-10-18(11-15-32)17-6-2-1-3-7-17/h1-3,6-9,16,18H,4-5,10-15H2,(H,30,34).
What are the key properties of N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 485.51 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46208789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).