2-methyl-6-[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]propoxymethyl]benzoic acid

C22H23NO5 — CID 11625114

IUPAC2-methyl-6-[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]propoxymethyl]benzoic acid
SMILESCc1cccc(COCCCOCc2coc(-c3ccccc3)n2)c1C(=O)O
InChIInChI=1S/C22H23NO5/c1-16-7-5-10-18(20(16)22(24)25)13-26-11-6-12-27-14-19-15-28-21(23-19)17-8-3-2-4-9-17/h2-5,7-10,15H,6,11-14H2,1H3,(H,24,25)
InChIKeyWLHOBCUVPMOXAT-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.47
Rot. Bonds10

About 2-methyl-6-[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]propoxymethyl]benzoic acid

2-methyl-6-[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]propoxymethyl]benzoic acid (PubChem CID 11625114) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-methyl-6-[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]propoxymethyl]benzoic acid.

Molecular Properties

Compound Name2-methyl-6-[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]propoxymethyl]benzoic acid
PubChem CID11625114
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name2-methyl-6-[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]propoxymethyl]benzoic acid
SMILESCc1cccc(COCCCOCc2coc(-c3ccccc3)n2)c1C(=O)O
InChIInChI=1S/C22H23NO5/c1-16-7-5-10-18(20(16)22(24)25)13-26-11-6-12-27-14-19-15-28-21(23-19)17-8-3-2-4-9-17/h2-5,7-10,15H,6,11-14H2,1H3,(H,24,25)
InChIKeyWLHOBCUVPMOXAT-UHFFFAOYSA-N
XLogP4.47
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methyl-6-[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]propoxymethyl]benzoic acid 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 2-methyl-6-[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]propoxymethyl]benzoic acid?
The IUPAC name of 2-methyl-6-[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]propoxymethyl]benzoic acid (CID 11625114) is 2-methyl-6-[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]propoxymethyl]benzoic acid.
What is the SMILES notation for 2-methyl-6-[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]propoxymethyl]benzoic acid?
The canonical SMILES for 2-methyl-6-[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]propoxymethyl]benzoic acid is Cc1cccc(COCCCOCc2coc(-c3ccccc3)n2)c1C(=O)O.
What is the InChIKey of 2-methyl-6-[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]propoxymethyl]benzoic acid?
The InChIKey is WLHOBCUVPMOXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-16-7-5-10-18(20(16)22(24)25)13-26-11-6-12-27-14-19-15-28-21(23-19)17-8-3-2-4-9-17/h2-5,7-10,15H,6,11-14H2,1H3,(H,24,25).
What are the key properties of 2-methyl-6-[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]propoxymethyl]benzoic acid?
2-methyl-6-[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]propoxymethyl]benzoic acid has a molecular weight of 381.43 g/mol, XLogP of 4.47, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]propoxymethyl]benzoic acid is sourced from PubChem (CID 11625114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).