1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid

C13H18N2O5 — CID 43350938

IUPAC1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(OCC(=O)NC2(C(=O)O)CCCCC2)no1
InChIInChI=1S/C13H18N2O5/c1-9-7-11(15-20-9)19-8-10(16)14-13(12(17)18)5-3-2-4-6-13/h7H,2-6,8H2,1H3,(H,14,16)(H,17,18)
InChIKeyAPYGIRZCKMFASY-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.27
Rot. Bonds5

About 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid

1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 43350938) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID43350938
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(OCC(=O)NC2(C(=O)O)CCCCC2)no1
InChIInChI=1S/C13H18N2O5/c1-9-7-11(15-20-9)19-8-10(16)14-13(12(17)18)5-3-2-4-6-13/h7H,2-6,8H2,1H3,(H,14,16)(H,17,18)
InChIKeyAPYGIRZCKMFASY-UHFFFAOYSA-N
XLogP1.27
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid (CID 43350938) is 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid is Cc1cc(OCC(=O)NC2(C(=O)O)CCCCC2)no1.
What is the InChIKey of 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is APYGIRZCKMFASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-9-7-11(15-20-9)19-8-10(16)14-13(12(17)18)5-3-2-4-6-13/h7H,2-6,8H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid?
1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43350938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).