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

C21H19F3N4O3 — CID 52936727

IUPACN-[6-(3-ethoxyazetidin-1-yl)-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCCOC1CN(c2ccc(NC(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)cn2)C1
InChIInChI=1S/C21H19F3N4O3/c1-2-30-15-11-28(12-15)16-9-8-14(10-25-16)26-19(29)17-18(21(22,23)24)31-20(27-17)13-6-4-3-5-7-13/h3-10,15H,2,11-12H2,1H3,(H,26,29)
InChIKeyPLKBDUMHSGZJRM-UHFFFAOYSA-N
MW432.40 g/mol
LogP4.23
Rot. Bonds6

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

N-[6-(3-ethoxyazetidin-1-yl)-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 52936727) has the molecular formula C21H19F3N4O3 and a molecular weight of 432.40 g/mol. Its IUPAC name is N-[6-(3-ethoxyazetidin-1-yl)-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(3-ethoxyazetidin-1-yl)-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID52936727
Molecular FormulaC21H19F3N4O3
Molecular Weight432.40 g/mol
Exact Mass432.14
IUPAC NameN-[6-(3-ethoxyazetidin-1-yl)-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCCOC1CN(c2ccc(NC(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)cn2)C1
InChIInChI=1S/C21H19F3N4O3/c1-2-30-15-11-28(12-15)16-9-8-14(10-25-16)26-19(29)17-18(21(22,23)24)31-20(27-17)13-6-4-3-5-7-13/h3-10,15H,2,11-12H2,1H3,(H,26,29)
InChIKeyPLKBDUMHSGZJRM-UHFFFAOYSA-N
XLogP4.23
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-ethoxyazetidin-1-yl)-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[6-(3-ethoxyazetidin-1-yl)-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 52936727) is N-[6-(3-ethoxyazetidin-1-yl)-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-(3-ethoxyazetidin-1-yl)-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[6-(3-ethoxyazetidin-1-yl)-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is CCOC1CN(c2ccc(NC(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)cn2)C1.
What is the InChIKey of N-[6-(3-ethoxyazetidin-1-yl)-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is PLKBDUMHSGZJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O3/c1-2-30-15-11-28(12-15)16-9-8-14(10-25-16)26-19(29)17-18(21(22,23)24)31-20(27-17)13-6-4-3-5-7-13/h3-10,15H,2,11-12H2,1H3,(H,26,29).
What are the key properties of N-[6-(3-ethoxyazetidin-1-yl)-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-[6-(3-ethoxyazetidin-1-yl)-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 432.40 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-ethoxyazetidin-1-yl)-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 52936727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).