[1-benzyl-3-[[3-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-methoxyphenyl]methoxy]pyrazol-4-yl]methanol

C28H27N3O6 — CID 69216951

IUPAC[1-benzyl-3-[[3-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-methoxyphenyl]methoxy]pyrazol-4-yl]methanol
SMILESCOc1ccc(COc2nn(Cc3ccccc3)cc2CO)cc1OCc1nc(-c2ccco2)oc1C
InChIInChI=1S/C28H27N3O6/c1-19-23(29-28(37-19)25-9-6-12-34-25)18-35-26-13-21(10-11-24(26)33-2)17-36-27-22(16-32)15-31(30-27)14-20-7-4-3-5-8-20/h3-13,15,32H,14,16-18H2,1-2H3
InChIKeyURSPRKYIDQTKEP-UHFFFAOYSA-N
MW501.54 g/mol
LogP5.15
Rot. Bonds11

About [1-benzyl-3-[[3-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-methoxyphenyl]methoxy]pyrazol-4-yl]methanol

[1-benzyl-3-[[3-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-methoxyphenyl]methoxy]pyrazol-4-yl]methanol (PubChem CID 69216951) has the molecular formula C28H27N3O6 and a molecular weight of 501.54 g/mol. Its IUPAC name is [1-benzyl-3-[[3-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-methoxyphenyl]methoxy]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-3-[[3-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-methoxyphenyl]methoxy]pyrazol-4-yl]methanol
PubChem CID69216951
Molecular FormulaC28H27N3O6
Molecular Weight501.54 g/mol
Exact Mass501.19
IUPAC Name[1-benzyl-3-[[3-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-methoxyphenyl]methoxy]pyrazol-4-yl]methanol
SMILESCOc1ccc(COc2nn(Cc3ccccc3)cc2CO)cc1OCc1nc(-c2ccco2)oc1C
InChIInChI=1S/C28H27N3O6/c1-19-23(29-28(37-19)25-9-6-12-34-25)18-35-26-13-21(10-11-24(26)33-2)17-36-27-22(16-32)15-31(30-27)14-20-7-4-3-5-8-20/h3-13,15,32H,14,16-18H2,1-2H3
InChIKeyURSPRKYIDQTKEP-UHFFFAOYSA-N
XLogP5.15
TPSA104.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.54
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [1-benzyl-3-[[3-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-methoxyphenyl]methoxy]pyrazol-4-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

[1-benzyl-3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]pyrazol-4-yl]methanol
CID 69217757
3-[3-ethoxy-1-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methyl]pyrazol-4-yl]propanoic acid
CID 69424011
ethyl 1-benzyl-3-[[3-chloro-4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methoxy]pyrazole-4-carboxylate
CID 69215691
1-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]-N-methylmethanamine
CID 69216913
2-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-(2-hydroxyethyl)pyrazol-4-yl]ethenylphosphonic acid
CID 69217013
2-[4-(2-diethoxyphosphorylethenyl)-3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]pyrazol-1-yl]ethanol
CID 91390601
4-[[4-[[4-[(E)-2-diethoxyphosphorylethenyl]-1-(pyridin-3-ylmethyl)pyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-2-(furan-2-yl)-5-methyl-1,3-oxazole
CID 86605833
2-(furan-2-yl)-4-[[2-methoxy-4-[[4-(1,3-oxazol-5-yl)-1-phenylpyrazol-3-yl]oxymethyl]phenoxy]methyl]-5-methyl-1,3-oxazole
CID 23076447
2-[(E)-2-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]ethenyl]-1,3,4-oxadiazole
CID 69217063
[(E)-2-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]-1-hydroxyethenyl]phosphonic acid
CID 69216483
4-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-2-phenylpyrimidine-5-carboxylic acid
CID 69216116
4-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-2-phenylpyrimidine-5-carbaldehyde
CID 86605890

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-3-[[3-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-methoxyphenyl]methoxy]pyrazol-4-yl]methanol?
The IUPAC name of [1-benzyl-3-[[3-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-methoxyphenyl]methoxy]pyrazol-4-yl]methanol (CID 69216951) is [1-benzyl-3-[[3-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-methoxyphenyl]methoxy]pyrazol-4-yl]methanol.
What is the SMILES notation for [1-benzyl-3-[[3-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-methoxyphenyl]methoxy]pyrazol-4-yl]methanol?
The canonical SMILES for [1-benzyl-3-[[3-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-methoxyphenyl]methoxy]pyrazol-4-yl]methanol is COc1ccc(COc2nn(Cc3ccccc3)cc2CO)cc1OCc1nc(-c2ccco2)oc1C.
What is the InChIKey of [1-benzyl-3-[[3-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-methoxyphenyl]methoxy]pyrazol-4-yl]methanol?
The InChIKey is URSPRKYIDQTKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O6/c1-19-23(29-28(37-19)25-9-6-12-34-25)18-35-26-13-21(10-11-24(26)33-2)17-36-27-22(16-32)15-31(30-27)14-20-7-4-3-5-8-20/h3-13,15,32H,14,16-18H2,1-2H3.
What are the key properties of [1-benzyl-3-[[3-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-methoxyphenyl]methoxy]pyrazol-4-yl]methanol?
[1-benzyl-3-[[3-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-methoxyphenyl]methoxy]pyrazol-4-yl]methanol has a molecular weight of 501.54 g/mol, XLogP of 5.15, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-3-[[3-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-methoxyphenyl]methoxy]pyrazol-4-yl]methanol is sourced from PubChem (CID 69216951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).