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

C23H24F2N2O6 — CID 130176562

IUPACN-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(2-hydroxyethoxy)benzamide
SMILESCC(C)Oc1cc(-c2nc(CNC(=O)c3ccccc3OCCO)co2)ccc1OC(F)F
InChIInChI=1S/C23H24F2N2O6/c1-14(2)32-20-11-15(7-8-19(20)33-23(24)25)22-27-16(13-31-22)12-26-21(29)17-5-3-4-6-18(17)30-10-9-28/h3-8,11,13-14,23,28H,9-10,12H2,1-2H3,(H,26,29)
InChIKeyJOHQKTDNKAHKMC-UHFFFAOYSA-N
MW462.45 g/mol
LogP4.03
Rot. Bonds11

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

N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(2-hydroxyethoxy)benzamide (PubChem CID 130176562) has the molecular formula C23H24F2N2O6 and a molecular weight of 462.45 g/mol. Its IUPAC name is N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(2-hydroxyethoxy)benzamide.

Molecular Properties

Compound NameN-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(2-hydroxyethoxy)benzamide
PubChem CID130176562
Molecular FormulaC23H24F2N2O6
Molecular Weight462.45 g/mol
Exact Mass462.16
IUPAC NameN-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(2-hydroxyethoxy)benzamide
SMILESCC(C)Oc1cc(-c2nc(CNC(=O)c3ccccc3OCCO)co2)ccc1OC(F)F
InChIInChI=1S/C23H24F2N2O6/c1-14(2)32-20-11-15(7-8-19(20)33-23(24)25)22-27-16(13-31-22)12-26-21(29)17-5-3-4-6-18(17)30-10-9-28/h3-8,11,13-14,23,28H,9-10,12H2,1-2H3,(H,26,29)
InChIKeyJOHQKTDNKAHKMC-UHFFFAOYSA-N
XLogP4.03
TPSA103.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.45
LogP ≤ 54.03
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-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(2-hydroxyethoxy)benzamide?
The IUPAC name of N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(2-hydroxyethoxy)benzamide (CID 130176562) is N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(2-hydroxyethoxy)benzamide.
What is the SMILES notation for N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(2-hydroxyethoxy)benzamide?
The canonical SMILES for N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(2-hydroxyethoxy)benzamide is CC(C)Oc1cc(-c2nc(CNC(=O)c3ccccc3OCCO)co2)ccc1OC(F)F.
What is the InChIKey of N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(2-hydroxyethoxy)benzamide?
The InChIKey is JOHQKTDNKAHKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O6/c1-14(2)32-20-11-15(7-8-19(20)33-23(24)25)22-27-16(13-31-22)12-26-21(29)17-5-3-4-6-18(17)30-10-9-28/h3-8,11,13-14,23,28H,9-10,12H2,1-2H3,(H,26,29).
What are the key properties of N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(2-hydroxyethoxy)benzamide?
N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(2-hydroxyethoxy)benzamide has a molecular weight of 462.45 g/mol, XLogP of 4.03, 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-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(2-hydroxyethoxy)benzamide is sourced from PubChem (CID 130176562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).