methyl 4-[[4-(1,3-oxazol-2-yl)phenyl]sulfonylamino]cyclohexane-1-carboxylate

C17H20N2O5S — CID 58292157

IUPACmethyl 4-[[4-(1,3-oxazol-2-yl)phenyl]sulfonylamino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NS(=O)(=O)c2ccc(-c3ncco3)cc2)CC1
InChIInChI=1S/C17H20N2O5S/c1-23-17(20)13-2-6-14(7-3-13)19-25(21,22)15-8-4-12(5-9-15)16-18-10-11-24-16/h4-5,8-11,13-14,19H,2-3,6-7H2,1H3
InChIKeyGYUXUJOTMUPIEC-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.35
Rot. Bonds5

About methyl 4-[[4-(1,3-oxazol-2-yl)phenyl]sulfonylamino]cyclohexane-1-carboxylate

methyl 4-[[4-(1,3-oxazol-2-yl)phenyl]sulfonylamino]cyclohexane-1-carboxylate (PubChem CID 58292157) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is methyl 4-[[4-(1,3-oxazol-2-yl)phenyl]sulfonylamino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[4-(1,3-oxazol-2-yl)phenyl]sulfonylamino]cyclohexane-1-carboxylate
PubChem CID58292157
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Namemethyl 4-[[4-(1,3-oxazol-2-yl)phenyl]sulfonylamino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NS(=O)(=O)c2ccc(-c3ncco3)cc2)CC1
InChIInChI=1S/C17H20N2O5S/c1-23-17(20)13-2-6-14(7-3-13)19-25(21,22)15-8-4-12(5-9-15)16-18-10-11-24-16/h4-5,8-11,13-14,19H,2-3,6-7H2,1H3
InChIKeyGYUXUJOTMUPIEC-UHFFFAOYSA-N
XLogP2.35
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[4-(1,3-oxazol-5-yl)phenyl]sulfonylamino]cyclohexane-1-carboxylate
CID 58291840
methyl 4-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 115617309
methyl 4-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylate
CID 115617333
methyl 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylate
CID 58291888
methyl 4-[(2-methylpyrazol-3-yl)sulfonylamino]cyclohexane-1-carboxylate
CID 104710389
methyl 4-[(2-chloro-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylate
CID 115641381
N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20628843
4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808728
4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 122071165
methyl 4-(methylsulfamoylamino)cyclohexane-1-carboxylate
CID 114811643
4-(4-acetylphenyl)-N-cyclopentylbenzenesulfonamide
CID 110454111
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823745

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(1,3-oxazol-2-yl)phenyl]sulfonylamino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[[4-(1,3-oxazol-2-yl)phenyl]sulfonylamino]cyclohexane-1-carboxylate (CID 58292157) is methyl 4-[[4-(1,3-oxazol-2-yl)phenyl]sulfonylamino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[[4-(1,3-oxazol-2-yl)phenyl]sulfonylamino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[[4-(1,3-oxazol-2-yl)phenyl]sulfonylamino]cyclohexane-1-carboxylate is COC(=O)C1CCC(NS(=O)(=O)c2ccc(-c3ncco3)cc2)CC1.
What is the InChIKey of methyl 4-[[4-(1,3-oxazol-2-yl)phenyl]sulfonylamino]cyclohexane-1-carboxylate?
The InChIKey is GYUXUJOTMUPIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-23-17(20)13-2-6-14(7-3-13)19-25(21,22)15-8-4-12(5-9-15)16-18-10-11-24-16/h4-5,8-11,13-14,19H,2-3,6-7H2,1H3.
What are the key properties of methyl 4-[[4-(1,3-oxazol-2-yl)phenyl]sulfonylamino]cyclohexane-1-carboxylate?
methyl 4-[[4-(1,3-oxazol-2-yl)phenyl]sulfonylamino]cyclohexane-1-carboxylate has a molecular weight of 364.42 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(1,3-oxazol-2-yl)phenyl]sulfonylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 58292157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).