3-[[cyclohexyl(methyl)sulfamoyl]amino]-4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazole

C19H25N5O4S — CID 155428656

IUPAC3-[[cyclohexyl(methyl)sulfamoyl]amino]-4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazole
SMILESCOc1cc(Cn2cccn2)cc2onc(NS(=O)(=O)N(C)C3CCCCC3)c12
InChIInChI=1S/C19H25N5O4S/c1-23(15-7-4-3-5-8-15)29(25,26)22-19-18-16(27-2)11-14(12-17(18)28-21-19)13-24-10-6-9-20-24/h6,9-12,15H,3-5,7-8,13H2,1-2H3,(H,21,22)
InChIKeyVRWKYOZVLGEXMF-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.00
Rot. Bonds7

About 3-[[cyclohexyl(methyl)sulfamoyl]amino]-4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazole

3-[[cyclohexyl(methyl)sulfamoyl]amino]-4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazole (PubChem CID 155428656) has the molecular formula C19H25N5O4S and a molecular weight of 419.51 g/mol. Its IUPAC name is 3-[[cyclohexyl(methyl)sulfamoyl]amino]-4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazole.

Molecular Properties

Compound Name3-[[cyclohexyl(methyl)sulfamoyl]amino]-4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazole
PubChem CID155428656
Molecular FormulaC19H25N5O4S
Molecular Weight419.51 g/mol
Exact Mass419.16
IUPAC Name3-[[cyclohexyl(methyl)sulfamoyl]amino]-4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazole
SMILESCOc1cc(Cn2cccn2)cc2onc(NS(=O)(=O)N(C)C3CCCCC3)c12
InChIInChI=1S/C19H25N5O4S/c1-23(15-7-4-3-5-8-15)29(25,26)22-19-18-16(27-2)11-14(12-17(18)28-21-19)13-24-10-6-9-20-24/h6,9-12,15H,3-5,7-8,13H2,1-2H3,(H,21,22)
InChIKeyVRWKYOZVLGEXMF-UHFFFAOYSA-N
XLogP3.00
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[cyclohexyl(methyl)sulfamoyl]amino]-4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazole 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(methyl)sulfamoyl]amino]-4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazole?
The IUPAC name of 3-[[cyclohexyl(methyl)sulfamoyl]amino]-4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazole (CID 155428656) is 3-[[cyclohexyl(methyl)sulfamoyl]amino]-4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazole.
What is the SMILES notation for 3-[[cyclohexyl(methyl)sulfamoyl]amino]-4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazole?
The canonical SMILES for 3-[[cyclohexyl(methyl)sulfamoyl]amino]-4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazole is COc1cc(Cn2cccn2)cc2onc(NS(=O)(=O)N(C)C3CCCCC3)c12.
What is the InChIKey of 3-[[cyclohexyl(methyl)sulfamoyl]amino]-4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazole?
The InChIKey is VRWKYOZVLGEXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4S/c1-23(15-7-4-3-5-8-15)29(25,26)22-19-18-16(27-2)11-14(12-17(18)28-21-19)13-24-10-6-9-20-24/h6,9-12,15H,3-5,7-8,13H2,1-2H3,(H,21,22).
What are the key properties of 3-[[cyclohexyl(methyl)sulfamoyl]amino]-4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazole?
3-[[cyclohexyl(methyl)sulfamoyl]amino]-4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazole has a molecular weight of 419.51 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclohexyl(methyl)sulfamoyl]amino]-4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazole is sourced from PubChem (CID 155428656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).