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

C14H20N2O5 — CID 61290149

IUPAC3-methyl-1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(OCC(=O)NC2(C(=O)O)CCCC(C)C2)no1
InChIInChI=1S/C14H20N2O5/c1-9-4-3-5-14(7-9,13(18)19)15-11(17)8-20-12-6-10(2)21-16-12/h6,9H,3-5,7-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyDHCYATNKEAUZKD-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.51
Rot. Bonds5

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

3-methyl-1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 61290149) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 3-methyl-1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID61290149
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name3-methyl-1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(OCC(=O)NC2(C(=O)O)CCCC(C)C2)no1
InChIInChI=1S/C14H20N2O5/c1-9-4-3-5-14(7-9,13(18)19)15-11(17)8-20-12-6-10(2)21-16-12/h6,9H,3-5,7-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyDHCYATNKEAUZKD-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-methyl-1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid (CID 61290149) is 3-methyl-1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-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)CCCC(C)C2)no1.
What is the InChIKey of 3-methyl-1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is DHCYATNKEAUZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-9-4-3-5-14(7-9,13(18)19)15-11(17)8-20-12-6-10(2)21-16-12/h6,9H,3-5,7-8H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 3-methyl-1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid?
3-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 3-methyl-1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61290149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).