2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid

C13H18N2O5 — CID 120545622

IUPAC2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCOc1cc(C(=O)NC2(C)CCCCC2C(=O)O)on1
InChIInChI=1S/C13H18N2O5/c1-13(6-4-3-5-8(13)12(17)18)14-11(16)9-7-10(19-2)15-20-9/h7-8H,3-6H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyMLCJPEZDIWXJAG-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.45
Rot. Bonds4

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

2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid (PubChem CID 120545622) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
PubChem CID120545622
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCOc1cc(C(=O)NC2(C)CCCCC2C(=O)O)on1
InChIInChI=1S/C13H18N2O5/c1-13(6-4-3-5-8(13)12(17)18)14-11(16)9-7-10(19-2)15-20-9/h7-8H,3-6H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyMLCJPEZDIWXJAG-UHFFFAOYSA-N
XLogP1.45
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid (CID 120545622) is 2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid is COc1cc(C(=O)NC2(C)CCCCC2C(=O)O)on1.
What is the InChIKey of 2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is MLCJPEZDIWXJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-13(6-4-3-5-8(13)12(17)18)14-11(16)9-7-10(19-2)15-20-9/h7-8H,3-6H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid?
2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 120545622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).