2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]cyclohexyl]acetic acid

C13H20N2O5S — CID 64700765

IUPAC2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]cyclohexyl]acetic acid
SMILESCc1cc(CS(=O)(=O)NC2(CC(=O)O)CCCCC2)no1
InChIInChI=1S/C13H20N2O5S/c1-10-7-11(14-20-10)9-21(18,19)15-13(8-12(16)17)5-3-2-4-6-13/h7,15H,2-6,8-9H2,1H3,(H,16,17)
InChIKeyKGRUWWNXXBQSRD-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.58
Rot. Bonds6

About 2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]cyclohexyl]acetic acid

2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]cyclohexyl]acetic acid (PubChem CID 64700765) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]cyclohexyl]acetic acid
PubChem CID64700765
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]cyclohexyl]acetic acid
SMILESCc1cc(CS(=O)(=O)NC2(CC(=O)O)CCCCC2)no1
InChIInChI=1S/C13H20N2O5S/c1-10-7-11(14-20-10)9-21(18,19)15-13(8-12(16)17)5-3-2-4-6-13/h7,15H,2-6,8-9H2,1H3,(H,16,17)
InChIKeyKGRUWWNXXBQSRD-UHFFFAOYSA-N
XLogP1.58
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]cyclohexyl]acetic acid (CID 64700765) is 2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]cyclohexyl]acetic acid is Cc1cc(CS(=O)(=O)NC2(CC(=O)O)CCCCC2)no1.
What is the InChIKey of 2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]cyclohexyl]acetic acid?
The InChIKey is KGRUWWNXXBQSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-10-7-11(14-20-10)9-21(18,19)15-13(8-12(16)17)5-3-2-4-6-13/h7,15H,2-6,8-9H2,1H3,(H,16,17).
What are the key properties of 2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]cyclohexyl]acetic acid?
2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]cyclohexyl]acetic acid has a molecular weight of 316.38 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]cyclohexyl]acetic acid is sourced from PubChem (CID 64700765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).