4-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-2-phenylpyrimidine-5-carboxylic acid

C28H23N3O7 — CID 69216116

IUPAC4-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-2-phenylpyrimidine-5-carboxylic acid
SMILESCOc1cc(COc2nc(-c3ccccc3)ncc2C(=O)O)ccc1OCc1nc(-c2ccco2)oc1C
InChIInChI=1S/C28H23N3O7/c1-17-21(30-27(38-17)23-9-6-12-35-23)16-36-22-11-10-18(13-24(22)34-2)15-37-26-20(28(32)33)14-29-25(31-26)19-7-4-3-5-8-19/h3-14H,15-16H2,1-2H3,(H,32,33)
InChIKeyGVEOPHCGDFPRHH-UHFFFAOYSA-N
MW513.51 g/mol
LogP5.56
Rot. Bonds10

About 4-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-2-phenylpyrimidine-5-carboxylic acid

4-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-2-phenylpyrimidine-5-carboxylic acid (PubChem CID 69216116) has the molecular formula C28H23N3O7 and a molecular weight of 513.51 g/mol. Its IUPAC name is 4-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-2-phenylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-2-phenylpyrimidine-5-carboxylic acid
PubChem CID69216116
Molecular FormulaC28H23N3O7
Molecular Weight513.51 g/mol
Exact Mass513.15
IUPAC Name4-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-2-phenylpyrimidine-5-carboxylic acid
SMILESCOc1cc(COc2nc(-c3ccccc3)ncc2C(=O)O)ccc1OCc1nc(-c2ccco2)oc1C
InChIInChI=1S/C28H23N3O7/c1-17-21(30-27(38-17)23-9-6-12-35-23)16-36-22-11-10-18(13-24(22)34-2)15-37-26-20(28(32)33)14-29-25(31-26)19-7-4-3-5-8-19/h3-14H,15-16H2,1-2H3,(H,32,33)
InChIKeyGVEOPHCGDFPRHH-UHFFFAOYSA-N
XLogP5.56
TPSA129.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.51
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-2-phenylpyrimidine-5-carboxylic acid with MolForge

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Related Compounds

4-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-2-phenylpyrimidine-5-carbaldehyde
CID 86605890
4-[[4-[[5-[(Z)-2-diethoxyphosphorylethenyl]-2-phenylpyrimidin-4-yl]oxymethyl]-2-methoxyphenoxy]methyl]-2-(furan-2-yl)-5-methyl-1,3-oxazole
CID 86605897
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
3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-methylpyrazole-4-carboxamide
CID 69217464
[(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
[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
propan-2-yl 5-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]-2-oxopentanoate
CID 10863118
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
1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone
CID 51333609
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
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

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-2-phenylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-2-phenylpyrimidine-5-carboxylic acid (CID 69216116) is 4-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-2-phenylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-2-phenylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-2-phenylpyrimidine-5-carboxylic acid is COc1cc(COc2nc(-c3ccccc3)ncc2C(=O)O)ccc1OCc1nc(-c2ccco2)oc1C.
What is the InChIKey of 4-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-2-phenylpyrimidine-5-carboxylic acid?
The InChIKey is GVEOPHCGDFPRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O7/c1-17-21(30-27(38-17)23-9-6-12-35-23)16-36-22-11-10-18(13-24(22)34-2)15-37-26-20(28(32)33)14-29-25(31-26)19-7-4-3-5-8-19/h3-14H,15-16H2,1-2H3,(H,32,33).
What are the key properties of 4-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-2-phenylpyrimidine-5-carboxylic acid?
4-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-2-phenylpyrimidine-5-carboxylic acid has a molecular weight of 513.51 g/mol, XLogP of 5.56, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-2-phenylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 69216116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).