2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide

C20H19F3N4O3 — CID 46466073

IUPAC2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C20H19F3N4O3/c21-20(22,23)13-5-6-17(24-11-13)26-9-7-14(8-10-26)25-18(28)12-27-15-3-1-2-4-16(15)30-19(27)29/h1-6,11,14H,7-10,12H2,(H,25,28)
InChIKeyIHNDDWAEZHAJRB-UHFFFAOYSA-N
MW420.39 g/mol
LogP2.79
Rot. Bonds4

About 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide

2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide (PubChem CID 46466073) has the molecular formula C20H19F3N4O3 and a molecular weight of 420.39 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
PubChem CID46466073
Molecular FormulaC20H19F3N4O3
Molecular Weight420.39 g/mol
Exact Mass420.14
IUPAC Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C20H19F3N4O3/c21-20(22,23)13-5-6-17(24-11-13)26-9-7-14(8-10-26)25-18(28)12-27-15-3-1-2-4-16(15)30-19(27)29/h1-6,11,14H,7-10,12H2,(H,25,28)
InChIKeyIHNDDWAEZHAJRB-UHFFFAOYSA-N
XLogP2.79
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide (CID 46466073) is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide is O=C(Cn1c(=O)oc2ccccc21)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide?
The InChIKey is IHNDDWAEZHAJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O3/c21-20(22,23)13-5-6-17(24-11-13)26-9-7-14(8-10-26)25-18(28)12-27-15-3-1-2-4-16(15)30-19(27)29/h1-6,11,14H,7-10,12H2,(H,25,28).
What are the key properties of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide?
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide has a molecular weight of 420.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 46466073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).