methyl 2-[1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]cyclohexyl]acetate

C16H26N2O3 — CID 71919381

IUPACmethyl 2-[1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]cyclohexyl]acetate
SMILESCCc1noc(C)c1CNC1(CC(=O)OC)CCCCC1
InChIInChI=1S/C16H26N2O3/c1-4-14-13(12(2)21-18-14)11-17-16(10-15(19)20-3)8-6-5-7-9-16/h17H,4-11H2,1-3H3
InChIKeyOBZFUJHBJUVJBX-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.90
Rot. Bonds6

About methyl 2-[1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]cyclohexyl]acetate

methyl 2-[1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]cyclohexyl]acetate (PubChem CID 71919381) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is methyl 2-[1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]cyclohexyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]cyclohexyl]acetate
PubChem CID71919381
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Namemethyl 2-[1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]cyclohexyl]acetate
SMILESCCc1noc(C)c1CNC1(CC(=O)OC)CCCCC1
InChIInChI=1S/C16H26N2O3/c1-4-14-13(12(2)21-18-14)11-17-16(10-15(19)20-3)8-6-5-7-9-16/h17H,4-11H2,1-3H3
InChIKeyOBZFUJHBJUVJBX-UHFFFAOYSA-N
XLogP2.90
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]cyclohexyl]acetate 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 methyl 2-[1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]cyclohexyl]acetate?
The IUPAC name of methyl 2-[1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]cyclohexyl]acetate (CID 71919381) is methyl 2-[1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]cyclohexyl]acetate.
What is the SMILES notation for methyl 2-[1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]cyclohexyl]acetate?
The canonical SMILES for methyl 2-[1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]cyclohexyl]acetate is CCc1noc(C)c1CNC1(CC(=O)OC)CCCCC1.
What is the InChIKey of methyl 2-[1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]cyclohexyl]acetate?
The InChIKey is OBZFUJHBJUVJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-14-13(12(2)21-18-14)11-17-16(10-15(19)20-3)8-6-5-7-9-16/h17H,4-11H2,1-3H3.
What are the key properties of methyl 2-[1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]cyclohexyl]acetate?
methyl 2-[1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]cyclohexyl]acetate has a molecular weight of 294.39 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]cyclohexyl]acetate is sourced from PubChem (CID 71919381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).