2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-5-(5-piperidin-1-ylpentoxy)phenol

C26H32N2O4 — CID 135950334

IUPAC2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-5-(5-piperidin-1-ylpentoxy)phenol
SMILESCOc1ccc(-c2cnoc2-c2ccc(OCCCCCN3CCCCC3)cc2O)cc1
InChIInChI=1S/C26H32N2O4/c1-30-21-10-8-20(9-11-21)24-19-27-32-26(24)23-13-12-22(18-25(23)29)31-17-7-3-6-16-28-14-4-2-5-15-28/h8-13,18-19,29H,2-7,14-17H2,1H3
InChIKeySBUUWJIYPBUNHN-UHFFFAOYSA-N
MW436.55 g/mol
LogP5.76
Rot. Bonds10

About 2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-5-(5-piperidin-1-ylpentoxy)phenol

2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-5-(5-piperidin-1-ylpentoxy)phenol (PubChem CID 135950334) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-5-(5-piperidin-1-ylpentoxy)phenol.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-5-(5-piperidin-1-ylpentoxy)phenol
PubChem CID135950334
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Name2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-5-(5-piperidin-1-ylpentoxy)phenol
SMILESCOc1ccc(-c2cnoc2-c2ccc(OCCCCCN3CCCCC3)cc2O)cc1
InChIInChI=1S/C26H32N2O4/c1-30-21-10-8-20(9-11-21)24-19-27-32-26(24)23-13-12-22(18-25(23)29)31-17-7-3-6-16-28-14-4-2-5-15-28/h8-13,18-19,29H,2-7,14-17H2,1H3
InChIKeySBUUWJIYPBUNHN-UHFFFAOYSA-N
XLogP5.76
TPSA67.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.55
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-5-(5-piperidin-1-ylpentoxy)phenol 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

2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-5-[2-(4-methylpiperazin-1-yl)ethoxy]phenol
CID 137228389
5-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol
CID 137228385
5-methoxy-2-(4-phenyl-1,2-oxazol-5-yl)phenol
CID 135657525
1-[6-(3-methoxyphenoxy)hexyl]piperidine
CID 2232457
2-[2-hydroxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methoxy-1-benzofuran-3-carboxylic acid
CID 141398778
2,3,7,8-tetrakis[4-(4-piperidin-1-ylbutoxy)phenyl]pyrazino[2,3-g]quinoxaline
CID 163198870
3,6-bis(4-piperidin-1-ylbutoxy)acridine
CID 20553482
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1-[4-(3,4-dimethylphenoxy)butyl]azepane
CID 2194954
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
1-[3-(3-methoxyphenoxy)propyl]azepane;oxalic acid
CID 2944095
2-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline
CID 69089727

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-5-(5-piperidin-1-ylpentoxy)phenol?
The IUPAC name of 2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-5-(5-piperidin-1-ylpentoxy)phenol (CID 135950334) is 2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-5-(5-piperidin-1-ylpentoxy)phenol.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-5-(5-piperidin-1-ylpentoxy)phenol?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-5-(5-piperidin-1-ylpentoxy)phenol is COc1ccc(-c2cnoc2-c2ccc(OCCCCCN3CCCCC3)cc2O)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-5-(5-piperidin-1-ylpentoxy)phenol?
The InChIKey is SBUUWJIYPBUNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-30-21-10-8-20(9-11-21)24-19-27-32-26(24)23-13-12-22(18-25(23)29)31-17-7-3-6-16-28-14-4-2-5-15-28/h8-13,18-19,29H,2-7,14-17H2,1H3.
What are the key properties of 2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-5-(5-piperidin-1-ylpentoxy)phenol?
2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-5-(5-piperidin-1-ylpentoxy)phenol has a molecular weight of 436.55 g/mol, XLogP of 5.76, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-5-(5-piperidin-1-ylpentoxy)phenol is sourced from PubChem (CID 135950334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).