1-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid

C14H20N2O4 — CID 43386885

IUPAC1-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1noc(C)c1CC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H20N2O4/c1-9-11(10(2)20-16-9)8-12(17)15-14(13(18)19)6-4-3-5-7-14/h3-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyWZVGIWFYIIJGCD-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.74
Rot. Bonds4

About 1-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid

1-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 43386885) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID43386885
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1noc(C)c1CC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H20N2O4/c1-9-11(10(2)20-16-9)8-12(17)15-14(13(18)19)6-4-3-5-7-14/h3-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyWZVGIWFYIIJGCD-UHFFFAOYSA-N
XLogP1.74
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)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 1-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 43386885) is 1-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid is Cc1noc(C)c1CC(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is WZVGIWFYIIJGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9-11(10(2)20-16-9)8-12(17)15-14(13(18)19)6-4-3-5-7-14/h3-8H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 1-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
1-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43386885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).