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

C14H20N2O5 — CID 61295233

IUPAC2-methyl-1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(OCC(=O)NC2(C(=O)O)CCCCC2C)no1
InChIInChI=1S/C14H20N2O5/c1-9-5-3-4-6-14(9,13(18)19)15-11(17)8-20-12-7-10(2)21-16-12/h7,9H,3-6,8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyLGPQDFKEVSASRG-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.51
Rot. Bonds5

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

2-methyl-1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 61295233) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-methyl-1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID61295233
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-methyl-1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(OCC(=O)NC2(C(=O)O)CCCCC2C)no1
InChIInChI=1S/C14H20N2O5/c1-9-5-3-4-6-14(9,13(18)19)15-11(17)8-20-12-7-10(2)21-16-12/h7,9H,3-6,8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyLGPQDFKEVSASRG-UHFFFAOYSA-N
XLogP1.51
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-methyl-1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid (CID 61295233) is 2-methyl-1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-methyl-1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid is Cc1cc(OCC(=O)NC2(C(=O)O)CCCCC2C)no1.
What is the InChIKey of 2-methyl-1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is LGPQDFKEVSASRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-9-5-3-4-6-14(9,13(18)19)15-11(17)8-20-12-7-10(2)21-16-12/h7,9H,3-6,8H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-methyl-1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid?
2-methyl-1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 296.32 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61295233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).