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

C24H26F2N2O5 — CID 25142154

IUPACN-[[2-[4-(difluoromethoxy)-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCc1coc(-c2ccc(OC(F)F)c(OCC(C)C)c2)n1
InChIInChI=1S/C24H26F2N2O5/c1-4-30-19-8-6-5-7-18(19)22(29)27-12-17-14-32-23(28-17)16-9-10-20(33-24(25)26)21(11-16)31-13-15(2)3/h5-11,14-15,24H,4,12-13H2,1-3H3,(H,27,29)
InChIKeyIRACUEGUHBIDAI-UHFFFAOYSA-N
MW460.48 g/mol
LogP5.31
Rot. Bonds11

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

N-[[2-[4-(difluoromethoxy)-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide (PubChem CID 25142154) has the molecular formula C24H26F2N2O5 and a molecular weight of 460.48 g/mol. Its IUPAC name is N-[[2-[4-(difluoromethoxy)-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[[2-[4-(difluoromethoxy)-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide
PubChem CID25142154
Molecular FormulaC24H26F2N2O5
Molecular Weight460.48 g/mol
Exact Mass460.18
IUPAC NameN-[[2-[4-(difluoromethoxy)-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCc1coc(-c2ccc(OC(F)F)c(OCC(C)C)c2)n1
InChIInChI=1S/C24H26F2N2O5/c1-4-30-19-8-6-5-7-18(19)22(29)27-12-17-14-32-23(28-17)16-9-10-20(33-24(25)26)21(11-16)31-13-15(2)3/h5-11,14-15,24H,4,12-13H2,1-3H3,(H,27,29)
InChIKeyIRACUEGUHBIDAI-UHFFFAOYSA-N
XLogP5.31
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.48
LogP ≤ 55.31
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-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide?
The IUPAC name of N-[[2-[4-(difluoromethoxy)-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide (CID 25142154) is N-[[2-[4-(difluoromethoxy)-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[[2-[4-(difluoromethoxy)-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide?
The canonical SMILES for N-[[2-[4-(difluoromethoxy)-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCc1coc(-c2ccc(OC(F)F)c(OCC(C)C)c2)n1.
What is the InChIKey of N-[[2-[4-(difluoromethoxy)-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide?
The InChIKey is IRACUEGUHBIDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2O5/c1-4-30-19-8-6-5-7-18(19)22(29)27-12-17-14-32-23(28-17)16-9-10-20(33-24(25)26)21(11-16)31-13-15(2)3/h5-11,14-15,24H,4,12-13H2,1-3H3,(H,27,29).
What are the key properties of N-[[2-[4-(difluoromethoxy)-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide?
N-[[2-[4-(difluoromethoxy)-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide has a molecular weight of 460.48 g/mol, XLogP of 5.31, 11 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-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide is sourced from PubChem (CID 25142154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).