2-[3-[6-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]phenoxy]propanamide

C22H16F2N2O3 — CID 91343545

IUPAC2-[3-[6-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]phenoxy]propanamide
SMILESCC(Oc1cccc(-c2nc3ccc(-c4ccc(F)cc4F)cc3o2)c1)C(N)=O
InChIInChI=1S/C22H16F2N2O3/c1-12(21(25)27)28-16-4-2-3-14(9-16)22-26-19-8-5-13(10-20(19)29-22)17-7-6-15(23)11-18(17)24/h2-12H,1H3,(H2,25,27)
InChIKeyFBEHPGNNNURSLM-UHFFFAOYSA-N
MW394.38 g/mol
LogP4.69
Rot. Bonds5

About 2-[3-[6-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]phenoxy]propanamide

2-[3-[6-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]phenoxy]propanamide (PubChem CID 91343545) has the molecular formula C22H16F2N2O3 and a molecular weight of 394.38 g/mol. Its IUPAC name is 2-[3-[6-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]phenoxy]propanamide.

Molecular Properties

Compound Name2-[3-[6-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]phenoxy]propanamide
PubChem CID91343545
Molecular FormulaC22H16F2N2O3
Molecular Weight394.38 g/mol
Exact Mass394.11
IUPAC Name2-[3-[6-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]phenoxy]propanamide
SMILESCC(Oc1cccc(-c2nc3ccc(-c4ccc(F)cc4F)cc3o2)c1)C(N)=O
InChIInChI=1S/C22H16F2N2O3/c1-12(21(25)27)28-16-4-2-3-14(9-16)22-26-19-8-5-13(10-20(19)29-22)17-7-6-15(23)11-18(17)24/h2-12H,1H3,(H2,25,27)
InChIKeyFBEHPGNNNURSLM-UHFFFAOYSA-N
XLogP4.69
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]phenoxy]propanamide?
The IUPAC name of 2-[3-[6-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]phenoxy]propanamide (CID 91343545) is 2-[3-[6-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]phenoxy]propanamide.
What is the SMILES notation for 2-[3-[6-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]phenoxy]propanamide?
The canonical SMILES for 2-[3-[6-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]phenoxy]propanamide is CC(Oc1cccc(-c2nc3ccc(-c4ccc(F)cc4F)cc3o2)c1)C(N)=O.
What is the InChIKey of 2-[3-[6-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]phenoxy]propanamide?
The InChIKey is FBEHPGNNNURSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O3/c1-12(21(25)27)28-16-4-2-3-14(9-16)22-26-19-8-5-13(10-20(19)29-22)17-7-6-15(23)11-18(17)24/h2-12H,1H3,(H2,25,27).
What are the key properties of 2-[3-[6-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]phenoxy]propanamide?
2-[3-[6-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]phenoxy]propanamide has a molecular weight of 394.38 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]phenoxy]propanamide is sourced from PubChem (CID 91343545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).