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

C19H16ClNO4 — CID 16505260

IUPAC2-(3-chlorophenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2ccccc2)c1C(=O)OCCOc1cccc(Cl)c1
InChIInChI=1S/C19H16ClNO4/c1-13-17(18(21-25-13)14-6-3-2-4-7-14)19(22)24-11-10-23-16-9-5-8-15(20)12-16/h2-9,12H,10-11H2,1H3
InChIKeyRONIQHKUFLXNHU-UHFFFAOYSA-N
MW357.79 g/mol
LogP4.54
Rot. Bonds6

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

2-(3-chlorophenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (PubChem CID 16505260) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name2-(3-chlorophenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
PubChem CID16505260
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC Name2-(3-chlorophenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2ccccc2)c1C(=O)OCCOc1cccc(Cl)c1
InChIInChI=1S/C19H16ClNO4/c1-13-17(18(21-25-13)14-6-3-2-4-7-14)19(22)24-11-10-23-16-9-5-8-15(20)12-16/h2-9,12H,10-11H2,1H3
InChIKeyRONIQHKUFLXNHU-UHFFFAOYSA-N
XLogP4.54
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 54.54
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-chlorophenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of 2-(3-chlorophenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (CID 16505260) is 2-(3-chlorophenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for 2-(3-chlorophenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for 2-(3-chlorophenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is Cc1onc(-c2ccccc2)c1C(=O)OCCOc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The InChIKey is RONIQHKUFLXNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4/c1-13-17(18(21-25-13)14-6-3-2-4-7-14)19(22)24-11-10-23-16-9-5-8-15(20)12-16/h2-9,12H,10-11H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
2-(3-chlorophenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate has a molecular weight of 357.79 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 16505260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).