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

C29H24N4O6 — CID 23076447

IUPAC2-(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
SMILESCOc1cc(COc2nn(-c3ccccc3)cc2-c2cnco2)ccc1OCc1nc(-c2ccco2)oc1C
InChIInChI=1S/C29H24N4O6/c1-19-23(31-29(39-19)25-9-6-12-35-25)17-36-24-11-10-20(13-26(24)34-2)16-37-28-22(27-14-30-18-38-27)15-33(32-28)21-7-4-3-5-8-21/h3-15,18H,16-17H2,1-2H3
InChIKeyAYYYJALHGQRNEV-UHFFFAOYSA-N
MW524.53 g/mol
LogP6.25
Rot. Bonds10

About 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

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 (PubChem CID 23076447) has the molecular formula C29H24N4O6 and a molecular weight of 524.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID23076447
Molecular FormulaC29H24N4O6
Molecular Weight524.53 g/mol
Exact Mass524.17
IUPAC Name2-(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
SMILESCOc1cc(COc2nn(-c3ccccc3)cc2-c2cnco2)ccc1OCc1nc(-c2ccco2)oc1C
InChIInChI=1S/C29H24N4O6/c1-19-23(31-29(39-19)25-9-6-12-35-25)17-36-24-11-10-20(13-26(24)34-2)16-37-28-22(27-14-30-18-38-27)15-33(32-28)21-7-4-3-5-8-21/h3-15,18H,16-17H2,1-2H3
InChIKeyAYYYJALHGQRNEV-UHFFFAOYSA-N
XLogP6.25
TPSA110.71 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.53
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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-[(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-[[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
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-[(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
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
2-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenylpyrazol-4-yl]acetic acid
CID 69431218
4-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-2-phenylpyrimidine-5-carboxylic acid
CID 69216116
[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
4-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-2-phenylpyrimidine-5-carbaldehyde
CID 86605890
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(COc2nn(-c3ccccc3)cc2-c2cnco2)ccc1OCc1nc(-c2ccco2)oc1C.
What is the InChIKey of 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?
The InChIKey is AYYYJALHGQRNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O6/c1-19-23(31-29(39-19)25-9-6-12-35-25)17-36-24-11-10-20(13-26(24)34-2)16-37-28-22(27-14-30-18-38-27)15-33(32-28)21-7-4-3-5-8-21/h3-15,18H,16-17H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 524.53 g/mol, XLogP of 6.25, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 23076447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).