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

C20H19NO4 — CID 2614299

IUPAC2-(3-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1cccc(OCCOC(=O)c2c(-c3ccccc3)noc2C)c1
InChIInChI=1S/C20H19NO4/c1-14-7-6-10-17(13-14)23-11-12-24-20(22)18-15(2)25-21-19(18)16-8-4-3-5-9-16/h3-10,13H,11-12H2,1-2H3
InChIKeySAMHYHOPAYQFKM-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.19
Rot. Bonds6

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

2-(3-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (PubChem CID 2614299) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(3-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name2-(3-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
PubChem CID2614299
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name2-(3-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1cccc(OCCOC(=O)c2c(-c3ccccc3)noc2C)c1
InChIInChI=1S/C20H19NO4/c1-14-7-6-10-17(13-14)23-11-12-24-20(22)18-15(2)25-21-19(18)16-8-4-3-5-9-16/h3-10,13H,11-12H2,1-2H3
InChIKeySAMHYHOPAYQFKM-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of 2-(3-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (CID 2614299) is 2-(3-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for 2-(3-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for 2-(3-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is Cc1cccc(OCCOC(=O)c2c(-c3ccccc3)noc2C)c1.
What is the InChIKey of 2-(3-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The InChIKey is SAMHYHOPAYQFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-14-7-6-10-17(13-14)23-11-12-24-20(22)18-15(2)25-21-19(18)16-8-4-3-5-9-16/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 2-(3-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
2-(3-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-(3-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 2614299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).