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]-5-propyl-1,3,4-oxadiazole

C33H31N5O6 — CID 69216401

IUPAC2-[(E)-2-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]ethenyl]-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(/C=C/c2cn(-c3ccccc3)nc2OCc2ccc(OCc3nc(-c4ccco4)oc3C)c(OC)c2)o1
InChIInChI=1S/C33H31N5O6/c1-4-9-30-35-36-31(44-30)16-14-24-19-38(25-10-6-5-7-11-25)37-32(24)42-20-23-13-15-27(29(18-23)39-3)41-21-26-22(2)43-33(34-26)28-12-8-17-40-28/h5-8,10-19H,4,9,20-21H2,1-3H3/b16-14+
InChIKeyXFZLFPDBWLEFSM-JQIJEIRASA-N
MW593.64 g/mol
LogP7.10
Rot. Bonds13

About 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]-5-propyl-1,3,4-oxadiazole

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]-5-propyl-1,3,4-oxadiazole (PubChem CID 69216401) has the molecular formula C33H31N5O6 and a molecular weight of 593.64 g/mol. Its IUPAC name is 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]-5-propyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(E)-2-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]ethenyl]-5-propyl-1,3,4-oxadiazole
PubChem CID69216401
Molecular FormulaC33H31N5O6
Molecular Weight593.64 g/mol
Exact Mass593.23
IUPAC Name2-[(E)-2-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]ethenyl]-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(/C=C/c2cn(-c3ccccc3)nc2OCc2ccc(OCc3nc(-c4ccco4)oc3C)c(OC)c2)o1
InChIInChI=1S/C33H31N5O6/c1-4-9-30-35-36-31(44-30)16-14-24-19-38(25-10-6-5-7-11-25)37-32(24)42-20-23-13-15-27(29(18-23)39-3)41-21-26-22(2)43-33(34-26)28-12-8-17-40-28/h5-8,10-19H,4,9,20-21H2,1-3H3/b16-14+
InChIKeyXFZLFPDBWLEFSM-JQIJEIRASA-N
XLogP7.10
TPSA123.60 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500593.64
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 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]-5-propyl-1,3,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

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
4-[[4-[[4-[(E)-2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-2-(furan-2-yl)-5-methyl-1,3-oxazole
CID 69215594
[(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
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
5-[[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 91574504
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
4-[[4-[[4-[(E)-2-diethoxyphosphorylethenyl]-1-phenylpyrazol-3-yl]oxymethyl]-2-ethoxyphenoxy]methyl]-2-(furan-2-yl)-5-methyl-1,3-oxazole
CID 86605808
ethyl 5-[4-[[4-[[4-[2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]furan-2-carboxylate
CID 69214275
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-[4-[[4-[[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]acetic acid
CID 69217332
ethyl 2-[4-[4-[[2-methoxy-4-[[4-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]phenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]acetate
CID 86605927
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

Frequently Asked Questions

What is the IUPAC name of 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]-5-propyl-1,3,4-oxadiazole?
The IUPAC name of 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]-5-propyl-1,3,4-oxadiazole (CID 69216401) is 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]-5-propyl-1,3,4-oxadiazole.
What is the SMILES notation for 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]-5-propyl-1,3,4-oxadiazole?
The canonical SMILES for 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]-5-propyl-1,3,4-oxadiazole is CCCc1nnc(/C=C/c2cn(-c3ccccc3)nc2OCc2ccc(OCc3nc(-c4ccco4)oc3C)c(OC)c2)o1.
What is the InChIKey of 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]-5-propyl-1,3,4-oxadiazole?
The InChIKey is XFZLFPDBWLEFSM-JQIJEIRASA-N. The full InChI is InChI=1S/C33H31N5O6/c1-4-9-30-35-36-31(44-30)16-14-24-19-38(25-10-6-5-7-11-25)37-32(24)42-20-23-13-15-27(29(18-23)39-3)41-21-26-22(2)43-33(34-26)28-12-8-17-40-28/h5-8,10-19H,4,9,20-21H2,1-3H3/b16-14+.
What are the key properties of 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]-5-propyl-1,3,4-oxadiazole?
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]-5-propyl-1,3,4-oxadiazole has a molecular weight of 593.64 g/mol, XLogP of 7.10, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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]-5-propyl-1,3,4-oxadiazole is sourced from PubChem (CID 69216401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).