N-[[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(2-hydroxyethoxy)benzamide

C22H22F2N2O6 — CID 130176549

IUPACN-[[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(2-hydroxyethoxy)benzamide
SMILESCCOc1cc(-c2nc(CNC(=O)c3ccccc3OCCO)co2)ccc1OC(F)F
InChIInChI=1S/C22H22F2N2O6/c1-2-29-19-11-14(7-8-18(19)32-22(23)24)21-26-15(13-31-21)12-25-20(28)16-5-3-4-6-17(16)30-10-9-27/h3-8,11,13,22,27H,2,9-10,12H2,1H3,(H,25,28)
InChIKeyOMPALNCDYIIOFK-UHFFFAOYSA-N
MW448.42 g/mol
LogP3.64
Rot. Bonds11

About N-[[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(2-hydroxyethoxy)benzamide

N-[[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(2-hydroxyethoxy)benzamide (PubChem CID 130176549) has the molecular formula C22H22F2N2O6 and a molecular weight of 448.42 g/mol. Its IUPAC name is N-[[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(2-hydroxyethoxy)benzamide.

Molecular Properties

Compound NameN-[[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(2-hydroxyethoxy)benzamide
PubChem CID130176549
Molecular FormulaC22H22F2N2O6
Molecular Weight448.42 g/mol
Exact Mass448.14
IUPAC NameN-[[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(2-hydroxyethoxy)benzamide
SMILESCCOc1cc(-c2nc(CNC(=O)c3ccccc3OCCO)co2)ccc1OC(F)F
InChIInChI=1S/C22H22F2N2O6/c1-2-29-19-11-14(7-8-18(19)32-22(23)24)21-26-15(13-31-21)12-25-20(28)16-5-3-4-6-17(16)30-10-9-27/h3-8,11,13,22,27H,2,9-10,12H2,1H3,(H,25,28)
InChIKeyOMPALNCDYIIOFK-UHFFFAOYSA-N
XLogP3.64
TPSA103.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(2-hydroxyethoxy)benzamide?
The IUPAC name of N-[[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(2-hydroxyethoxy)benzamide (CID 130176549) is N-[[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(2-hydroxyethoxy)benzamide.
What is the SMILES notation for N-[[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(2-hydroxyethoxy)benzamide?
The canonical SMILES for N-[[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(2-hydroxyethoxy)benzamide is CCOc1cc(-c2nc(CNC(=O)c3ccccc3OCCO)co2)ccc1OC(F)F.
What is the InChIKey of N-[[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(2-hydroxyethoxy)benzamide?
The InChIKey is OMPALNCDYIIOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O6/c1-2-29-19-11-14(7-8-18(19)32-22(23)24)21-26-15(13-31-21)12-25-20(28)16-5-3-4-6-17(16)30-10-9-27/h3-8,11,13,22,27H,2,9-10,12H2,1H3,(H,25,28).
What are the key properties of N-[[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(2-hydroxyethoxy)benzamide?
N-[[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(2-hydroxyethoxy)benzamide has a molecular weight of 448.42 g/mol, XLogP of 3.64, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(2-hydroxyethoxy)benzamide is sourced from PubChem (CID 130176549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).