2-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid

C13H18N2O4 — CID 61292644

IUPAC2-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C(=O)NC2(C(=O)O)CCCCC2C)on1
InChIInChI=1S/C13H18N2O4/c1-8-5-3-4-6-13(8,12(17)18)14-11(16)10-7-9(2)15-19-10/h7-8H,3-6H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyQZSXAMXXOAAWJE-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.75
Rot. Bonds3

About 2-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid

2-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 61292644) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID61292644
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C(=O)NC2(C(=O)O)CCCCC2C)on1
InChIInChI=1S/C13H18N2O4/c1-8-5-3-4-6-13(8,12(17)18)14-11(16)10-7-9(2)15-19-10/h7-8H,3-6H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyQZSXAMXXOAAWJE-UHFFFAOYSA-N
XLogP1.75
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 61292644) is 2-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid is Cc1cc(C(=O)NC2(C(=O)O)CCCCC2C)on1.
What is the InChIKey of 2-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is QZSXAMXXOAAWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8-5-3-4-6-13(8,12(17)18)14-11(16)10-7-9(2)15-19-10/h7-8H,3-6H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
2-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61292644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).