cyclohexyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate

C17H21NO4 — CID 135973115

IUPACcyclohexyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate
SMILESO=C(CC1CC(c2ccc(O)cc2)=NO1)OC1CCCCC1
InChIInChI=1S/C17H21NO4/c19-13-8-6-12(7-9-13)16-10-15(22-18-16)11-17(20)21-14-4-2-1-3-5-14/h6-9,14-15,19H,1-5,10-11H2
InChIKeyMTZMMGKPBKFVFB-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.15
Rot. Bonds4

About cyclohexyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate

cyclohexyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate (PubChem CID 135973115) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is cyclohexyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate.

Molecular Properties

Compound Namecyclohexyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate
PubChem CID135973115
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Namecyclohexyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate
SMILESO=C(CC1CC(c2ccc(O)cc2)=NO1)OC1CCCCC1
InChIInChI=1S/C17H21NO4/c19-13-8-6-12(7-9-13)16-10-15(22-18-16)11-17(20)21-14-4-2-1-3-5-14/h6-9,14-15,19H,1-5,10-11H2
InChIKeyMTZMMGKPBKFVFB-UHFFFAOYSA-N
XLogP3.15
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cyclohexyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]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 cyclohexyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate?
The IUPAC name of cyclohexyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate (CID 135973115) is cyclohexyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate.
What is the SMILES notation for cyclohexyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate?
The canonical SMILES for cyclohexyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate is O=C(CC1CC(c2ccc(O)cc2)=NO1)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate?
The InChIKey is MTZMMGKPBKFVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c19-13-8-6-12(7-9-13)16-10-15(22-18-16)11-17(20)21-14-4-2-1-3-5-14/h6-9,14-15,19H,1-5,10-11H2.
What are the key properties of cyclohexyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate?
cyclohexyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate has a molecular weight of 303.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate is sourced from PubChem (CID 135973115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).