4-[[4-[[4-[(E)-2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-3-thiophen-2-ylpyrazol-1-yl]methyl]phenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole

C32H28N4O2S2 — CID 139945938

IUPAC4-[[4-[[4-[(E)-2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-3-thiophen-2-ylpyrazol-1-yl]methyl]phenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole
SMILESCCc1nc(/C=C/c2cn(Cc3ccc(OCc4nc(-c5ccccc5)oc4C)cc3)nc2-c2cccs2)cs1
InChIInChI=1S/C32H28N4O2S2/c1-3-30-33-26(21-40-30)14-13-25-19-36(35-31(25)29-10-7-17-39-29)18-23-11-15-27(16-12-23)37-20-28-22(2)38-32(34-28)24-8-5-4-6-9-24/h4-17,19,21H,3,18,20H2,1-2H3/b14-13+
InChIKeyKUDFLYHSOIKPNG-BUHFOSPRSA-N
MW564.74 g/mol
LogP8.39
Rot. Bonds10

About 4-[[4-[[4-[(E)-2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-3-thiophen-2-ylpyrazol-1-yl]methyl]phenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole

4-[[4-[[4-[(E)-2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-3-thiophen-2-ylpyrazol-1-yl]methyl]phenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole (PubChem CID 139945938) has the molecular formula C32H28N4O2S2 and a molecular weight of 564.74 g/mol. Its IUPAC name is 4-[[4-[[4-[(E)-2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-3-thiophen-2-ylpyrazol-1-yl]methyl]phenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-[[4-[(E)-2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-3-thiophen-2-ylpyrazol-1-yl]methyl]phenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole
PubChem CID139945938
Molecular FormulaC32H28N4O2S2
Molecular Weight564.74 g/mol
Exact Mass564.17
IUPAC Name4-[[4-[[4-[(E)-2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-3-thiophen-2-ylpyrazol-1-yl]methyl]phenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole
SMILESCCc1nc(/C=C/c2cn(Cc3ccc(OCc4nc(-c5ccccc5)oc4C)cc3)nc2-c2cccs2)cs1
InChIInChI=1S/C32H28N4O2S2/c1-3-30-33-26(21-40-30)14-13-25-19-36(35-31(25)29-10-7-17-39-29)18-23-11-15-27(16-12-23)37-20-28-22(2)38-32(34-28)24-8-5-4-6-9-24/h4-17,19,21H,3,18,20H2,1-2H3/b14-13+
InChIKeyKUDFLYHSOIKPNG-BUHFOSPRSA-N
XLogP8.39
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.74
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[4-[[4-[(E)-2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-3-thiophen-2-ylpyrazol-1-yl]methyl]phenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole 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

5-((2-(2-ethoxyphenyl)-5-methyloxazol-4-yl)methyl)-2-(thiophen-2-yl)pyrazolo[1,5-a]pyrazin-4(5H)-one
CID 53043177
5-((2-(4-ethoxyphenyl)-5-methyloxazol-4-yl)methyl)-2-(thiophen-2-yl)pyrazolo[1,5-a]pyrazin-4(5H)-one
CID 53043175
5-((2-(4-isopropoxyphenyl)-5-methyloxazol-4-yl)methyl)-2-(thiophen-2-yl)pyrazolo[1,5-a]pyrazin-4(5H)-one
CID 53043176
5-((2-(2-methoxyphenyl)-5-methyloxazol-4-yl)methyl)-2-(thiophen-2-yl)pyrazolo[1,5-a]pyrazin-4(5H)-one
CID 53043178
3-[1-[4-(2-phenyl-4-oxazolylmethoxy)benzyl]-3-(2-thienyl)-1H-pyrazol-4-yl]propionic acid
CID 10140933
2-[1-[[4-[(5-Methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-thiophen-2-ylpyrazol-4-yl]acetic acid
CID 10140934
3-[1-[4-(5-methyl-2-phenyl-4-oxazolylmethoxy)benzyl]-3-(2-thienyl)-1H-pyrazol-4-yl]propionic acid
CID 10207143
3-[3-ethoxy-1-[4-[5-methyl-2-(2-thienyl)-4-oxazolylmethoxy]benzyl]-1H-pyrazol-4-yl]propionic acid
CID 11691261
1-[4-(2-phenyl-4-thiazolylmethoxy)benzyl]-3-(2-thienyl)-1H-pyrazole-4-carbaldehyde
CID 23024770
1-[4-(2-phenyl-4-thiazolylmethoxy)benzyl]-3-(2-thienyl)-1H-pyrazole-4-carboxylic acid
CID 23024802
ethyl 1-[4-(2-phenyl-4-thiazolylmethoxy)benzyl]-3-(2-thienyl)-1H-pyrazole-4-carboxylate
CID 23024852
ethyl 1-[4-(5-methyl-2-phenyl-4-oxazolylmethoxy)benzyl]-3-(2-thienyl)-1H-pyrazole-4-carboxylate
CID 23024863

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[4-[(E)-2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-3-thiophen-2-ylpyrazol-1-yl]methyl]phenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole?
The IUPAC name of 4-[[4-[[4-[(E)-2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-3-thiophen-2-ylpyrazol-1-yl]methyl]phenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole (CID 139945938) is 4-[[4-[[4-[(E)-2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-3-thiophen-2-ylpyrazol-1-yl]methyl]phenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-[[4-[[4-[(E)-2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-3-thiophen-2-ylpyrazol-1-yl]methyl]phenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-[[4-[[4-[(E)-2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-3-thiophen-2-ylpyrazol-1-yl]methyl]phenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole is CCc1nc(/C=C/c2cn(Cc3ccc(OCc4nc(-c5ccccc5)oc4C)cc3)nc2-c2cccs2)cs1.
What is the InChIKey of 4-[[4-[[4-[(E)-2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-3-thiophen-2-ylpyrazol-1-yl]methyl]phenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole?
The InChIKey is KUDFLYHSOIKPNG-BUHFOSPRSA-N. The full InChI is InChI=1S/C32H28N4O2S2/c1-3-30-33-26(21-40-30)14-13-25-19-36(35-31(25)29-10-7-17-39-29)18-23-11-15-27(16-12-23)37-20-28-22(2)38-32(34-28)24-8-5-4-6-9-24/h4-17,19,21H,3,18,20H2,1-2H3/b14-13+.
What are the key properties of 4-[[4-[[4-[(E)-2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-3-thiophen-2-ylpyrazol-1-yl]methyl]phenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole?
4-[[4-[[4-[(E)-2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-3-thiophen-2-ylpyrazol-1-yl]methyl]phenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole has a molecular weight of 564.74 g/mol, XLogP of 8.39, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[4-[(E)-2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-3-thiophen-2-ylpyrazol-1-yl]methyl]phenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole is sourced from PubChem (CID 139945938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).