(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-methoxyphenyl)methyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate

C22H26N4O6S — CID 91906552

IUPAC(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-methoxyphenyl)methyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate
SMILESCOc1ccc(CN2C=C(C(=O)OCc3nc(C4CCCCC4)no3)C(C)=NS2(=O)=O)cc1
InChIInChI=1S/C22H26N4O6S/c1-15-19(13-26(33(28,29)25-15)12-16-8-10-18(30-2)11-9-16)22(27)31-14-20-23-21(24-32-20)17-6-4-3-5-7-17/h8-11,13,17H,3-7,12,14H2,1-2H3
InChIKeyUBXSAJOAMPCPQG-UHFFFAOYSA-N
MW474.54 g/mol
LogP3.27
Rot. Bonds7

About (3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-methoxyphenyl)methyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate

(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-methoxyphenyl)methyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate (PubChem CID 91906552) has the molecular formula C22H26N4O6S and a molecular weight of 474.54 g/mol. Its IUPAC name is (3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-methoxyphenyl)methyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate.

Molecular Properties

Compound Name(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-methoxyphenyl)methyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate
PubChem CID91906552
Molecular FormulaC22H26N4O6S
Molecular Weight474.54 g/mol
Exact Mass474.16
IUPAC Name(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-methoxyphenyl)methyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate
SMILESCOc1ccc(CN2C=C(C(=O)OCc3nc(C4CCCCC4)no3)C(C)=NS2(=O)=O)cc1
InChIInChI=1S/C22H26N4O6S/c1-15-19(13-26(33(28,29)25-15)12-16-8-10-18(30-2)11-9-16)22(27)31-14-20-23-21(24-32-20)17-6-4-3-5-7-17/h8-11,13,17H,3-7,12,14H2,1-2H3
InChIKeyUBXSAJOAMPCPQG-UHFFFAOYSA-N
XLogP3.27
TPSA124.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-methoxyphenyl)methyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate 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 (3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-methoxyphenyl)methyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate?
The IUPAC name of (3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-methoxyphenyl)methyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate (CID 91906552) is (3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-methoxyphenyl)methyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate.
What is the SMILES notation for (3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-methoxyphenyl)methyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate?
The canonical SMILES for (3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-methoxyphenyl)methyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate is COc1ccc(CN2C=C(C(=O)OCc3nc(C4CCCCC4)no3)C(C)=NS2(=O)=O)cc1.
What is the InChIKey of (3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-methoxyphenyl)methyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate?
The InChIKey is UBXSAJOAMPCPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O6S/c1-15-19(13-26(33(28,29)25-15)12-16-8-10-18(30-2)11-9-16)22(27)31-14-20-23-21(24-32-20)17-6-4-3-5-7-17/h8-11,13,17H,3-7,12,14H2,1-2H3.
What are the key properties of (3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-methoxyphenyl)methyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate?
(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-methoxyphenyl)methyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate has a molecular weight of 474.54 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-methoxyphenyl)methyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate is sourced from PubChem (CID 91906552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).