2-(2,4-difluorophenoxy)-N-[[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide

C21H22F2N4O3S — CID 98065544

IUPAC2-(2,4-difluorophenoxy)-N-[[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide
SMILESCc1ncsc1-c1nnc(C2CCC(CNC(=O)COc3ccc(F)cc3F)CC2)o1
InChIInChI=1S/C21H22F2N4O3S/c1-12-19(31-11-25-12)21-27-26-20(30-21)14-4-2-13(3-5-14)9-24-18(28)10-29-17-7-6-15(22)8-16(17)23/h6-8,11,13-14H,2-5,9-10H2,1H3,(H,24,28)
InChIKeyUAXLNCFBWNXRJV-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.25
Rot. Bonds7

About 2-(2,4-difluorophenoxy)-N-[[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide

2-(2,4-difluorophenoxy)-N-[[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide (PubChem CID 98065544) has the molecular formula C21H22F2N4O3S and a molecular weight of 448.50 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-[[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-[[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide
PubChem CID98065544
Molecular FormulaC21H22F2N4O3S
Molecular Weight448.50 g/mol
Exact Mass448.14
IUPAC Name2-(2,4-difluorophenoxy)-N-[[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide
SMILESCc1ncsc1-c1nnc(C2CCC(CNC(=O)COc3ccc(F)cc3F)CC2)o1
InChIInChI=1S/C21H22F2N4O3S/c1-12-19(31-11-25-12)21-27-26-20(30-21)14-4-2-13(3-5-14)9-24-18(28)10-29-17-7-6-15(22)8-16(17)23/h6-8,11,13-14H,2-5,9-10H2,1H3,(H,24,28)
InChIKeyUAXLNCFBWNXRJV-UHFFFAOYSA-N
XLogP4.25
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2,4-difluorophenoxy)-N-[[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-[[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-[[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide (CID 98065544) is 2-(2,4-difluorophenoxy)-N-[[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-[[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-[[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide is Cc1ncsc1-c1nnc(C2CCC(CNC(=O)COc3ccc(F)cc3F)CC2)o1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-[[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide?
The InChIKey is UAXLNCFBWNXRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O3S/c1-12-19(31-11-25-12)21-27-26-20(30-21)14-4-2-13(3-5-14)9-24-18(28)10-29-17-7-6-15(22)8-16(17)23/h6-8,11,13-14H,2-5,9-10H2,1H3,(H,24,28).
What are the key properties of 2-(2,4-difluorophenoxy)-N-[[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide?
2-(2,4-difluorophenoxy)-N-[[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide has a molecular weight of 448.50 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-[[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide is sourced from PubChem (CID 98065544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).