5-[2-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]ethyl]-1,2-oxazol-3-one

C21H20F2N2O4 — CID 121447078

IUPAC5-[2-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]ethyl]-1,2-oxazol-3-one
SMILESO=c1cc(CCOc2c(F)cc(-c3cccnc3OC3CCCC3)cc2F)o[nH]1
InChIInChI=1S/C21H20F2N2O4/c22-17-10-13(16-6-3-8-24-21(16)28-14-4-1-2-5-14)11-18(23)20(17)27-9-7-15-12-19(26)25-29-15/h3,6,8,10-12,14H,1-2,4-5,7,9H2,(H,25,26)
InChIKeyJPFHLVYTOLGVHT-UHFFFAOYSA-N
MW402.40 g/mol
LogP4.25
Rot. Bonds7

About 5-[2-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]ethyl]-1,2-oxazol-3-one

5-[2-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]ethyl]-1,2-oxazol-3-one (PubChem CID 121447078) has the molecular formula C21H20F2N2O4 and a molecular weight of 402.40 g/mol. Its IUPAC name is 5-[2-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]ethyl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[2-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]ethyl]-1,2-oxazol-3-one
PubChem CID121447078
Molecular FormulaC21H20F2N2O4
Molecular Weight402.40 g/mol
Exact Mass402.14
IUPAC Name5-[2-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]ethyl]-1,2-oxazol-3-one
SMILESO=c1cc(CCOc2c(F)cc(-c3cccnc3OC3CCCC3)cc2F)o[nH]1
InChIInChI=1S/C21H20F2N2O4/c22-17-10-13(16-6-3-8-24-21(16)28-14-4-1-2-5-14)11-18(23)20(17)27-9-7-15-12-19(26)25-29-15/h3,6,8,10-12,14H,1-2,4-5,7,9H2,(H,25,26)
InChIKeyJPFHLVYTOLGVHT-UHFFFAOYSA-N
XLogP4.25
TPSA77.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]ethyl]-1,2-oxazol-3-one?
The IUPAC name of 5-[2-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]ethyl]-1,2-oxazol-3-one (CID 121447078) is 5-[2-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]ethyl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[2-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]ethyl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[2-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]ethyl]-1,2-oxazol-3-one is O=c1cc(CCOc2c(F)cc(-c3cccnc3OC3CCCC3)cc2F)o[nH]1.
What is the InChIKey of 5-[2-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]ethyl]-1,2-oxazol-3-one?
The InChIKey is JPFHLVYTOLGVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O4/c22-17-10-13(16-6-3-8-24-21(16)28-14-4-1-2-5-14)11-18(23)20(17)27-9-7-15-12-19(26)25-29-15/h3,6,8,10-12,14H,1-2,4-5,7,9H2,(H,25,26).
What are the key properties of 5-[2-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]ethyl]-1,2-oxazol-3-one?
5-[2-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]ethyl]-1,2-oxazol-3-one has a molecular weight of 402.40 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]ethyl]-1,2-oxazol-3-one is sourced from PubChem (CID 121447078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).