1-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]-N-methylmethanamine

C28H28N4O5 — CID 69216913

IUPAC1-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(-c2ccccc2)nc1OCc1ccc(OCc2nc(-c3ccco3)oc2C)c(OC)c1
InChIInChI=1S/C28H28N4O5/c1-19-23(30-28(37-19)25-10-7-13-34-25)18-35-24-12-11-20(14-26(24)33-3)17-36-27-21(15-29-2)16-32(31-27)22-8-5-4-6-9-22/h4-14,16,29H,15,17-18H2,1-3H3
InChIKeyABUVBFWOYOLELJ-UHFFFAOYSA-N
MW500.56 g/mol
LogP5.31
Rot. Bonds11

About 1-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]-N-methylmethanamine

1-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]-N-methylmethanamine (PubChem CID 69216913) has the molecular formula C28H28N4O5 and a molecular weight of 500.56 g/mol. Its IUPAC name is 1-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]-N-methylmethanamine
PubChem CID69216913
Molecular FormulaC28H28N4O5
Molecular Weight500.56 g/mol
Exact Mass500.21
IUPAC Name1-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(-c2ccccc2)nc1OCc1ccc(OCc2nc(-c3ccco3)oc2C)c(OC)c1
InChIInChI=1S/C28H28N4O5/c1-19-23(30-28(37-19)25-10-7-13-34-25)18-35-24-12-11-20(14-26(24)33-3)17-36-27-21(15-29-2)16-32(31-27)22-8-5-4-6-9-22/h4-14,16,29H,15,17-18H2,1-3H3
InChIKeyABUVBFWOYOLELJ-UHFFFAOYSA-N
XLogP5.31
TPSA96.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.56
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
[(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
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
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
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
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
[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-[[4-[(E)-2-diethoxyphosphorylethenyl]-1-phenylpyrazol-3-yl]oxymethyl]-2-ethoxyphenoxy]methyl]-2-(furan-2-yl)-5-methyl-1,3-oxazole
CID 86605808
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-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-2-phenylpyrimidine-5-carboxylic acid
CID 69216116
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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 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) is 1-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]-N-methylmethanamine is CNCc1cn(-c2ccccc2)nc1OCc1ccc(OCc2nc(-c3ccco3)oc2C)c(OC)c1.
What is the InChIKey of 1-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]-N-methylmethanamine?
The InChIKey is ABUVBFWOYOLELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O5/c1-19-23(30-28(37-19)25-10-7-13-34-25)18-35-24-12-11-20(14-26(24)33-3)17-36-27-21(15-29-2)16-32(31-27)22-8-5-4-6-9-22/h4-14,16,29H,15,17-18H2,1-3H3.
What are the key properties of 1-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]-N-methylmethanamine?
1-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]-N-methylmethanamine has a molecular weight of 500.56 g/mol, XLogP of 5.31, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 69216913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).