(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-[cyclohexyl(methyl)sulfamoyl]benzoate

C20H26N2O5S — CID 2418230

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-[cyclohexyl(methyl)sulfamoyl]benzoate
SMILESCc1noc(C)c1COC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1
InChIInChI=1S/C20H26N2O5S/c1-14-19(15(2)27-21-14)13-26-20(23)16-8-7-11-18(12-16)28(24,25)22(3)17-9-5-4-6-10-17/h7-8,11-12,17H,4-6,9-10,13H2,1-3H3
InChIKeyCBTTYXALAOIULO-UHFFFAOYSA-N
MW406.50 g/mol
LogP3.60
Rot. Bonds6

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-[cyclohexyl(methyl)sulfamoyl]benzoate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-[cyclohexyl(methyl)sulfamoyl]benzoate (PubChem CID 2418230) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-[cyclohexyl(methyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-[cyclohexyl(methyl)sulfamoyl]benzoate
PubChem CID2418230
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-[cyclohexyl(methyl)sulfamoyl]benzoate
SMILESCc1noc(C)c1COC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1
InChIInChI=1S/C20H26N2O5S/c1-14-19(15(2)27-21-14)13-26-20(23)16-8-7-11-18(12-16)28(24,25)22(3)17-9-5-4-6-10-17/h7-8,11-12,17H,4-6,9-10,13H2,1-3H3
InChIKeyCBTTYXALAOIULO-UHFFFAOYSA-N
XLogP3.60
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-[cyclohexyl(methyl)sulfamoyl]benzoate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-[cyclohexyl(methyl)sulfamoyl]benzoate (CID 2418230) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-[cyclohexyl(methyl)sulfamoyl]benzoate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-[cyclohexyl(methyl)sulfamoyl]benzoate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-[cyclohexyl(methyl)sulfamoyl]benzoate is Cc1noc(C)c1COC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-[cyclohexyl(methyl)sulfamoyl]benzoate?
The InChIKey is CBTTYXALAOIULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-14-19(15(2)27-21-14)13-26-20(23)16-8-7-11-18(12-16)28(24,25)22(3)17-9-5-4-6-10-17/h7-8,11-12,17H,4-6,9-10,13H2,1-3H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-[cyclohexyl(methyl)sulfamoyl]benzoate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-[cyclohexyl(methyl)sulfamoyl]benzoate has a molecular weight of 406.50 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-[cyclohexyl(methyl)sulfamoyl]benzoate is sourced from PubChem (CID 2418230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).