1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid

C12H18N2O5S — CID 18679375

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCc1noc(C)c1S(=O)(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C12H18N2O5S/c1-8-10(9(2)19-13-8)20(17,18)14-12(11(15)16)6-4-3-5-7-12/h14H,3-7H2,1-2H3,(H,15,16)
InChIKeyRKYYAAVNMSHBSG-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.36
Rot. Bonds4

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 18679375) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID18679375
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCc1noc(C)c1S(=O)(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C12H18N2O5S/c1-8-10(9(2)19-13-8)20(17,18)14-12(11(15)16)6-4-3-5-7-12/h14H,3-7H2,1-2H3,(H,15,16)
InChIKeyRKYYAAVNMSHBSG-UHFFFAOYSA-N
XLogP1.36
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 18679375) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid is Cc1noc(C)c1S(=O)(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is RKYYAAVNMSHBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-8-10(9(2)19-13-8)20(17,18)14-12(11(15)16)6-4-3-5-7-12/h14H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 302.35 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 18679375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).