methyl 4-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-hydroxypropoxy]benzoate

C23H26N2O5 — CID 55470076

IUPACmethyl 4-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-hydroxypropoxy]benzoate
SMILESCOC(=O)c1ccc(OCC(O)CN2CCC(c3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C23H26N2O5/c1-28-23(27)17-6-8-19(9-7-17)29-15-18(26)14-25-12-10-16(11-13-25)22-24-20-4-2-3-5-21(20)30-22/h2-9,16,18,26H,10-15H2,1H3
InChIKeyBIYFYRGYRCCYOJ-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.23
Rot. Bonds7

About methyl 4-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-hydroxypropoxy]benzoate

methyl 4-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-hydroxypropoxy]benzoate (PubChem CID 55470076) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is methyl 4-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-hydroxypropoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-hydroxypropoxy]benzoate
PubChem CID55470076
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Namemethyl 4-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-hydroxypropoxy]benzoate
SMILESCOC(=O)c1ccc(OCC(O)CN2CCC(c3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C23H26N2O5/c1-28-23(27)17-6-8-19(9-7-17)29-15-18(26)14-25-12-10-16(11-13-25)22-24-20-4-2-3-5-21(20)30-22/h2-9,16,18,26H,10-15H2,1H3
InChIKeyBIYFYRGYRCCYOJ-UHFFFAOYSA-N
XLogP3.23
TPSA85.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-hydroxypropoxy]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]benzoate chloride
CID 46863809
methyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]benzoate
CID 754353
N-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-ethoxybenzamide
CID 31187832
methyl 4-[(2S)-2-hydroxy-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propoxy]benzoate
CID 35170591
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 46798047
methyl 4-[(2R)-2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]benzoate
CID 52532865
methyl 4-[(2R)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]benzoate
CID 1300433
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(tert-butylcarbamoyl)acetamide
CID 55354119
methyl 4-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]benzoate;dihydrochloride
CID 2937127
methyl 4-[(2R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate
CID 42559903
methyl 4-[(2R)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate
CID 98242648
2-[4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide
CID 24503509

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-hydroxypropoxy]benzoate?
The IUPAC name of methyl 4-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-hydroxypropoxy]benzoate (CID 55470076) is methyl 4-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-hydroxypropoxy]benzoate.
What is the SMILES notation for methyl 4-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-hydroxypropoxy]benzoate?
The canonical SMILES for methyl 4-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-hydroxypropoxy]benzoate is COC(=O)c1ccc(OCC(O)CN2CCC(c3nc4ccccc4o3)CC2)cc1.
What is the InChIKey of methyl 4-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-hydroxypropoxy]benzoate?
The InChIKey is BIYFYRGYRCCYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-28-23(27)17-6-8-19(9-7-17)29-15-18(26)14-25-12-10-16(11-13-25)22-24-20-4-2-3-5-21(20)30-22/h2-9,16,18,26H,10-15H2,1H3.
What are the key properties of methyl 4-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-hydroxypropoxy]benzoate?
methyl 4-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-hydroxypropoxy]benzoate has a molecular weight of 410.47 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-hydroxypropoxy]benzoate is sourced from PubChem (CID 55470076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).