methyl 4-[3-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-5-yl]butanoate

C17H27NO3 — CID 144615271

IUPACmethyl 4-[3-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-5-yl]butanoate
SMILESCOC(=O)CCCc1cc(C2CC(CC(C)(C)C)C2)no1
InChIInChI=1S/C17H27NO3/c1-17(2,3)11-12-8-13(9-12)15-10-14(21-18-15)6-5-7-16(19)20-4/h10,12-13H,5-9,11H2,1-4H3
InChIKeyFZKUQFHRSCCGCK-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.10
Rot. Bonds6

About methyl 4-[3-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-5-yl]butanoate

methyl 4-[3-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-5-yl]butanoate (PubChem CID 144615271) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is methyl 4-[3-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-5-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[3-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-5-yl]butanoate
PubChem CID144615271
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Namemethyl 4-[3-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-5-yl]butanoate
SMILESCOC(=O)CCCc1cc(C2CC(CC(C)(C)C)C2)no1
InChIInChI=1S/C17H27NO3/c1-17(2,3)11-12-8-13(9-12)15-10-14(21-18-15)6-5-7-16(19)20-4/h10,12-13H,5-9,11H2,1-4H3
InChIKeyFZKUQFHRSCCGCK-UHFFFAOYSA-N
XLogP4.10
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[3-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-5-yl]butanoate 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 4-[3-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-5-yl]butanoate?
The IUPAC name of methyl 4-[3-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-5-yl]butanoate (CID 144615271) is methyl 4-[3-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-5-yl]butanoate.
What is the SMILES notation for methyl 4-[3-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-5-yl]butanoate?
The canonical SMILES for methyl 4-[3-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-5-yl]butanoate is COC(=O)CCCc1cc(C2CC(CC(C)(C)C)C2)no1.
What is the InChIKey of methyl 4-[3-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-5-yl]butanoate?
The InChIKey is FZKUQFHRSCCGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-17(2,3)11-12-8-13(9-12)15-10-14(21-18-15)6-5-7-16(19)20-4/h10,12-13H,5-9,11H2,1-4H3.
What are the key properties of methyl 4-[3-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-5-yl]butanoate?
methyl 4-[3-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-5-yl]butanoate has a molecular weight of 293.41 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-5-yl]butanoate is sourced from PubChem (CID 144615271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).