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

C22H22F2N2O5 — CID 25142155

IUPACN-[[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide
SMILESCCOc1cc(-c2nc(CNC(=O)c3ccccc3OCC)co2)ccc1OC(F)F
InChIInChI=1S/C22H22F2N2O5/c1-3-28-17-8-6-5-7-16(17)20(27)25-12-15-13-30-21(26-15)14-9-10-18(31-22(23)24)19(11-14)29-4-2/h5-11,13,22H,3-4,12H2,1-2H3,(H,25,27)
InChIKeyLJMSMNPASMREJG-UHFFFAOYSA-N
MW432.42 g/mol
LogP4.67
Rot. Bonds10

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

N-[[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide (PubChem CID 25142155) has the molecular formula C22H22F2N2O5 and a molecular weight of 432.42 g/mol. Its IUPAC name is N-[[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide
PubChem CID25142155
Molecular FormulaC22H22F2N2O5
Molecular Weight432.42 g/mol
Exact Mass432.15
IUPAC NameN-[[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide
SMILESCCOc1cc(-c2nc(CNC(=O)c3ccccc3OCC)co2)ccc1OC(F)F
InChIInChI=1S/C22H22F2N2O5/c1-3-28-17-8-6-5-7-16(17)20(27)25-12-15-13-30-21(26-15)14-9-10-18(31-22(23)24)19(11-14)29-4-2/h5-11,13,22H,3-4,12H2,1-2H3,(H,25,27)
InChIKeyLJMSMNPASMREJG-UHFFFAOYSA-N
XLogP4.67
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-ethoxybenzamide?
The IUPAC name of N-[[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide (CID 25142155) is N-[[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide?
The canonical SMILES for N-[[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide is CCOc1cc(-c2nc(CNC(=O)c3ccccc3OCC)co2)ccc1OC(F)F.
What is the InChIKey of N-[[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide?
The InChIKey is LJMSMNPASMREJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O5/c1-3-28-17-8-6-5-7-16(17)20(27)25-12-15-13-30-21(26-15)14-9-10-18(31-22(23)24)19(11-14)29-4-2/h5-11,13,22H,3-4,12H2,1-2H3,(H,25,27).
What are the key properties of N-[[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide?
N-[[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide has a molecular weight of 432.42 g/mol, XLogP of 4.67, 10 rotatable bonds, 1 hydrogen bond donors, and 6 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-ethoxybenzamide is sourced from PubChem (CID 25142155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).