4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxylic acid

C10H14N2O3 — CID 112710260

IUPAC4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2ncco2)CC1
InChIInChI=1S/C10H14N2O3/c13-9(14)7-1-3-8(4-2-7)12-10-11-5-6-15-10/h5-8H,1-4H2,(H,11,12)(H,13,14)
InChIKeyXYFCIAFKUFBZSR-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.73
Rot. Bonds3

About 4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxylic acid

4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxylic acid (PubChem CID 112710260) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxylic acid
PubChem CID112710260
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2ncco2)CC1
InChIInChI=1S/C10H14N2O3/c13-9(14)7-1-3-8(4-2-7)12-10-11-5-6-15-10/h5-8H,1-4H2,(H,11,12)(H,13,14)
InChIKeyXYFCIAFKUFBZSR-UHFFFAOYSA-N
XLogP1.73
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(1,3-oxazol-2-ylamino)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 4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxylic acid (CID 112710260) is 4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(Nc2ncco2)CC1.
What is the InChIKey of 4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxylic acid?
The InChIKey is XYFCIAFKUFBZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c13-9(14)7-1-3-8(4-2-7)12-10-11-5-6-15-10/h5-8H,1-4H2,(H,11,12)(H,13,14).
What are the key properties of 4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxylic acid?
4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 112710260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).