1-phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one

C21H15F3N4O3 — CID 155585320

IUPAC1-phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one
SMILESO=c1cc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)ccn1OCc1ccccc1
InChIInChI=1S/C21H15F3N4O3/c22-21(23,24)15-6-7-17(25-11-15)18-12-26-20(31-18)27-16-8-9-28(19(29)10-16)30-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,26,27)
InChIKeyZBEQTCJCSQUAMH-UHFFFAOYSA-N
MW428.37 g/mol
LogP4.29
Rot. Bonds6

About 1-phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one

1-phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one (PubChem CID 155585320) has the molecular formula C21H15F3N4O3 and a molecular weight of 428.37 g/mol. Its IUPAC name is 1-phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one.

Molecular Properties

Compound Name1-phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one
PubChem CID155585320
Molecular FormulaC21H15F3N4O3
Molecular Weight428.37 g/mol
Exact Mass428.11
IUPAC Name1-phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one
SMILESO=c1cc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)ccn1OCc1ccccc1
InChIInChI=1S/C21H15F3N4O3/c22-21(23,24)15-6-7-17(25-11-15)18-12-26-20(31-18)27-16-8-9-28(19(29)10-16)30-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,26,27)
InChIKeyZBEQTCJCSQUAMH-UHFFFAOYSA-N
XLogP4.29
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one?
The IUPAC name of 1-phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one (CID 155585320) is 1-phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one.
What is the SMILES notation for 1-phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one?
The canonical SMILES for 1-phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one is O=c1cc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)ccn1OCc1ccccc1.
What is the InChIKey of 1-phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one?
The InChIKey is ZBEQTCJCSQUAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O3/c22-21(23,24)15-6-7-17(25-11-15)18-12-26-20(31-18)27-16-8-9-28(19(29)10-16)30-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,26,27).
What are the key properties of 1-phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one?
1-phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one has a molecular weight of 428.37 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one is sourced from PubChem (CID 155585320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).