2-(4-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

C20H19NO4 — CID 2614298

IUPAC2-(4-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1ccc(OCCOC(=O)c2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C20H19NO4/c1-14-8-10-17(11-9-14)23-12-13-24-20(22)18-15(2)25-21-19(18)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3
InChIKeyXIPZSCZGRRSCQY-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.19
Rot. Bonds6

About 2-(4-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

2-(4-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (PubChem CID 2614298) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(4-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name2-(4-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
PubChem CID2614298
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name2-(4-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1ccc(OCCOC(=O)c2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C20H19NO4/c1-14-8-10-17(11-9-14)23-12-13-24-20(22)18-15(2)25-21-19(18)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3
InChIKeyXIPZSCZGRRSCQY-UHFFFAOYSA-N
XLogP4.19
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 42977015
2-(2-chlorophenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2614294
2-phenoxyethyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 59520410
5-methyl-3-phenyl-N-(4-propoxyphenyl)-1,2-oxazole-4-carboxamide
CID 2198505
2-(4-fluorophenoxy)ethyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 7825415
[4-(4-fluorophenyl)-4-oxobutyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7235346
(4-acetylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2648489
(4-benzoylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 4240188
tert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 10753766
[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7581443
[2-(2,5-dimethylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 4828943
(2-cyanophenyl)methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2629944

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of 2-(4-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (CID 2614298) is 2-(4-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for 2-(4-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for 2-(4-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is Cc1ccc(OCCOC(=O)c2c(-c3ccccc3)noc2C)cc1.
What is the InChIKey of 2-(4-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The InChIKey is XIPZSCZGRRSCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-14-8-10-17(11-9-14)23-12-13-24-20(22)18-15(2)25-21-19(18)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3.
What are the key properties of 2-(4-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
2-(4-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 2614298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).