2-methyl-6-[3-[(2-phenyl-1,3-oxazol-5-yl)methoxy]propoxymethyl]benzoic acid

C22H23NO5 — CID 20597862

IUPAC2-methyl-6-[3-[(2-phenyl-1,3-oxazol-5-yl)methoxy]propoxymethyl]benzoic acid
SMILESCc1cccc(COCCCOCc2cnc(-c3ccccc3)o2)c1C(=O)O
InChIInChI=1S/C22H23NO5/c1-16-7-5-10-18(20(16)22(24)25)14-26-11-6-12-27-15-19-13-23-21(28-19)17-8-3-2-4-9-17/h2-5,7-10,13H,6,11-12,14-15H2,1H3,(H,24,25)
InChIKeyOXQGOKJAGCISKX-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.47
Rot. Bonds10

About 2-methyl-6-[3-[(2-phenyl-1,3-oxazol-5-yl)methoxy]propoxymethyl]benzoic acid

2-methyl-6-[3-[(2-phenyl-1,3-oxazol-5-yl)methoxy]propoxymethyl]benzoic acid (PubChem CID 20597862) 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-5-yl)methoxy]propoxymethyl]benzoic acid.

Molecular Properties

Compound Name2-methyl-6-[3-[(2-phenyl-1,3-oxazol-5-yl)methoxy]propoxymethyl]benzoic acid
PubChem CID20597862
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name2-methyl-6-[3-[(2-phenyl-1,3-oxazol-5-yl)methoxy]propoxymethyl]benzoic acid
SMILESCc1cccc(COCCCOCc2cnc(-c3ccccc3)o2)c1C(=O)O
InChIInChI=1S/C22H23NO5/c1-16-7-5-10-18(20(16)22(24)25)14-26-11-6-12-27-15-19-13-23-21(28-19)17-8-3-2-4-9-17/h2-5,7-10,13H,6,11-12,14-15H2,1H3,(H,24,25)
InChIKeyOXQGOKJAGCISKX-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'}

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Related Compounds

2-(5-Phenyl-2-oxazolyl)benzoic acid
CID 555391
2-(1-Naphthyl)-5-phenyloxazole
CID 70058
Methyl 2-{7-oxo-7-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptyl}benzoate
CID 16736221
2-[5-(4-Methylphenyl)-1,3-oxazol-2-yl]benzoic acid
CID 7131003
6-[2-(7-Phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
CID 16110715
Methyl 3-{7-oxo-7-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptyl}benzoate
CID 16737810
2-{7-Oxo-7-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptyl}benzoic acid
CID 16736445
3-{7-Oxo-7-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptyl}benzoic acid
CID 16737008
Methyl 3-(2-(7-phenylheptanoyl)oxazol-5-yl)benzoate
CID 16110638
Methyl 4-(2-(7-phenylheptanoyl)oxazol-5-yl)benzoate
CID 16110644
Methyl 2-(2-(7-phenylheptanoyl)oxazol-5-yl)benzoate
CID 16110694
3-(2-(7-Phenylheptanoyl)oxazol-5-yl)benzoic acid
CID 16110699

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-[(2-phenyl-1,3-oxazol-5-yl)methoxy]propoxymethyl]benzoic acid?
The IUPAC name of 2-methyl-6-[3-[(2-phenyl-1,3-oxazol-5-yl)methoxy]propoxymethyl]benzoic acid (CID 20597862) is 2-methyl-6-[3-[(2-phenyl-1,3-oxazol-5-yl)methoxy]propoxymethyl]benzoic acid.
What is the SMILES notation for 2-methyl-6-[3-[(2-phenyl-1,3-oxazol-5-yl)methoxy]propoxymethyl]benzoic acid?
The canonical SMILES for 2-methyl-6-[3-[(2-phenyl-1,3-oxazol-5-yl)methoxy]propoxymethyl]benzoic acid is Cc1cccc(COCCCOCc2cnc(-c3ccccc3)o2)c1C(=O)O.
What is the InChIKey of 2-methyl-6-[3-[(2-phenyl-1,3-oxazol-5-yl)methoxy]propoxymethyl]benzoic acid?
The InChIKey is OXQGOKJAGCISKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-16-7-5-10-18(20(16)22(24)25)14-26-11-6-12-27-15-19-13-23-21(28-19)17-8-3-2-4-9-17/h2-5,7-10,13H,6,11-12,14-15H2,1H3,(H,24,25).
What are the key properties of 2-methyl-6-[3-[(2-phenyl-1,3-oxazol-5-yl)methoxy]propoxymethyl]benzoic acid?
2-methyl-6-[3-[(2-phenyl-1,3-oxazol-5-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-5-yl)methoxy]propoxymethyl]benzoic acid is sourced from PubChem (CID 20597862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).