1-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one

C23H24F3N5O3 — CID 5278487

IUPAC1-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCC(CCOc1ccc(-c2noc(C(F)(F)F)n2)cc1)CCN1CCN(c2ccncc2)C1=O
InChIInChI=1S/C23H24F3N5O3/c1-16(8-12-30-13-14-31(22(30)32)18-6-10-27-11-7-18)9-15-33-19-4-2-17(3-5-19)20-28-21(34-29-20)23(24,25)26/h2-7,10-11,16H,8-9,12-15H2,1H3
InChIKeyQWQAMULOAWDCJZ-UHFFFAOYSA-N
MW475.47 g/mol
LogP4.89
Rot. Bonds9

About 1-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one

1-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one (PubChem CID 5278487) has the molecular formula C23H24F3N5O3 and a molecular weight of 475.47 g/mol. Its IUPAC name is 1-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
PubChem CID5278487
Molecular FormulaC23H24F3N5O3
Molecular Weight475.47 g/mol
Exact Mass475.18
IUPAC Name1-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCC(CCOc1ccc(-c2noc(C(F)(F)F)n2)cc1)CCN1CCN(c2ccncc2)C1=O
InChIInChI=1S/C23H24F3N5O3/c1-16(8-12-30-13-14-31(22(30)32)18-6-10-27-11-7-18)9-15-33-19-4-2-17(3-5-19)20-28-21(34-29-20)23(24,25)26/h2-7,10-11,16H,8-9,12-15H2,1H3
InChIKeyQWQAMULOAWDCJZ-UHFFFAOYSA-N
XLogP4.89
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
The IUPAC name of 1-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one (CID 5278487) is 1-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one is CC(CCOc1ccc(-c2noc(C(F)(F)F)n2)cc1)CCN1CCN(c2ccncc2)C1=O.
What is the InChIKey of 1-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
The InChIKey is QWQAMULOAWDCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O3/c1-16(8-12-30-13-14-31(22(30)32)18-6-10-27-11-7-18)9-15-33-19-4-2-17(3-5-19)20-28-21(34-29-20)23(24,25)26/h2-7,10-11,16H,8-9,12-15H2,1H3.
What are the key properties of 1-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
1-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one has a molecular weight of 475.47 g/mol, XLogP of 4.89, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one is sourced from PubChem (CID 5278487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).