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

C24H26F2N2O6 — CID 130176558

IUPACN-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(3-hydroxypropoxy)benzamide
SMILESCC(C)Oc1cc(-c2nc(CNC(=O)c3ccccc3OCCCO)co2)ccc1OC(F)F
InChIInChI=1S/C24H26F2N2O6/c1-15(2)33-21-12-16(8-9-20(21)34-24(25)26)23-28-17(14-32-23)13-27-22(30)18-6-3-4-7-19(18)31-11-5-10-29/h3-4,6-9,12,14-15,24,29H,5,10-11,13H2,1-2H3,(H,27,30)
InChIKeyDJHXILHXKPVPKU-UHFFFAOYSA-N
MW476.48 g/mol
LogP4.42
Rot. Bonds12

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

N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(3-hydroxypropoxy)benzamide (PubChem CID 130176558) has the molecular formula C24H26F2N2O6 and a molecular weight of 476.48 g/mol. Its IUPAC name is N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(3-hydroxypropoxy)benzamide.

Molecular Properties

Compound NameN-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(3-hydroxypropoxy)benzamide
PubChem CID130176558
Molecular FormulaC24H26F2N2O6
Molecular Weight476.48 g/mol
Exact Mass476.18
IUPAC NameN-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(3-hydroxypropoxy)benzamide
SMILESCC(C)Oc1cc(-c2nc(CNC(=O)c3ccccc3OCCCO)co2)ccc1OC(F)F
InChIInChI=1S/C24H26F2N2O6/c1-15(2)33-21-12-16(8-9-20(21)34-24(25)26)23-28-17(14-32-23)13-27-22(30)18-6-3-4-7-19(18)31-11-5-10-29/h3-4,6-9,12,14-15,24,29H,5,10-11,13H2,1-2H3,(H,27,30)
InChIKeyDJHXILHXKPVPKU-UHFFFAOYSA-N
XLogP4.42
TPSA103.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.48
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-(3-hydroxypropoxy)benzamide?
The IUPAC name of N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(3-hydroxypropoxy)benzamide (CID 130176558) is N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(3-hydroxypropoxy)benzamide.
What is the SMILES notation for N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(3-hydroxypropoxy)benzamide?
The canonical SMILES for N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(3-hydroxypropoxy)benzamide is CC(C)Oc1cc(-c2nc(CNC(=O)c3ccccc3OCCCO)co2)ccc1OC(F)F.
What is the InChIKey of N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(3-hydroxypropoxy)benzamide?
The InChIKey is DJHXILHXKPVPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2O6/c1-15(2)33-21-12-16(8-9-20(21)34-24(25)26)23-28-17(14-32-23)13-27-22(30)18-6-3-4-7-19(18)31-11-5-10-29/h3-4,6-9,12,14-15,24,29H,5,10-11,13H2,1-2H3,(H,27,30).
What are the key properties of N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(3-hydroxypropoxy)benzamide?
N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-(3-hydroxypropoxy)benzamide has a molecular weight of 476.48 g/mol, XLogP of 4.42, 12 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-(3-hydroxypropoxy)benzamide is sourced from PubChem (CID 130176558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).