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

C21H21F3N4O3 — CID 55708621

IUPAC2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide
SMILESCC(C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)n1c(=O)oc2ccccc21
InChIInChI=1S/C21H21F3N4O3/c1-13(28-16-4-2-3-5-17(16)31-20(28)30)19(29)26-15-8-10-27(11-9-15)18-7-6-14(12-25-18)21(22,23)24/h2-7,12-13,15H,8-11H2,1H3,(H,26,29)
InChIKeyKIIGTOAVMAKHKU-UHFFFAOYSA-N
MW434.42 g/mol
LogP3.35
Rot. Bonds4

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

2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide (PubChem CID 55708621) has the molecular formula C21H21F3N4O3 and a molecular weight of 434.42 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide
PubChem CID55708621
Molecular FormulaC21H21F3N4O3
Molecular Weight434.42 g/mol
Exact Mass434.16
IUPAC Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide
SMILESCC(C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)n1c(=O)oc2ccccc21
InChIInChI=1S/C21H21F3N4O3/c1-13(28-16-4-2-3-5-17(16)31-20(28)30)19(29)26-15-8-10-27(11-9-15)18-7-6-14(12-25-18)21(22,23)24/h2-7,12-13,15H,8-11H2,1H3,(H,26,29)
InChIKeyKIIGTOAVMAKHKU-UHFFFAOYSA-N
XLogP3.35
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 53.35
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]propanamide?
The IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide (CID 55708621) is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide is CC(C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)n1c(=O)oc2ccccc21.
What is the InChIKey of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide?
The InChIKey is KIIGTOAVMAKHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O3/c1-13(28-16-4-2-3-5-17(16)31-20(28)30)19(29)26-15-8-10-27(11-9-15)18-7-6-14(12-25-18)21(22,23)24/h2-7,12-13,15H,8-11H2,1H3,(H,26,29).
What are the key properties of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide?
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide has a molecular weight of 434.42 g/mol, XLogP of 3.35, 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]propanamide is sourced from PubChem (CID 55708621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).