2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

C20H17NO5 — CID 42977015

IUPAC2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2ccccc2)c1C(=O)OCCOC(=O)c1ccccc1
InChIInChI=1S/C20H17NO5/c1-14-17(18(21-26-14)15-8-4-2-5-9-15)20(23)25-13-12-24-19(22)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3
InChIKeySKVHEDLAFZKVLZ-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.66
Rot. Bonds6

About 2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (PubChem CID 42977015) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is 2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
PubChem CID42977015
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Name2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2ccccc2)c1C(=O)OCCOC(=O)c1ccccc1
InChIInChI=1S/C20H17NO5/c1-14-17(18(21-26-14)15-8-4-2-5-9-15)20(23)25-13-12-24-19(22)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3
InChIKeySKVHEDLAFZKVLZ-UHFFFAOYSA-N
XLogP3.66
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2614298
2-(2-chlorophenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2614294
[4-(4-fluorophenyl)-4-oxobutyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7235346
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-oxo-2-(2-phenylpropylamino)ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 16505272
[2-(3-fluorophenyl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 8676290
(2-cyanophenyl)methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2629944
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7581477
(4-benzoylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 4240188
[2-(benzhydrylamino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2614483
2-phenoxyethyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 59520410

Frequently Asked Questions

What is the IUPAC name of 2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of 2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (CID 42977015) is 2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for 2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for 2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is Cc1onc(-c2ccccc2)c1C(=O)OCCOC(=O)c1ccccc1.
What is the InChIKey of 2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The InChIKey is SKVHEDLAFZKVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5/c1-14-17(18(21-26-14)15-8-4-2-5-9-15)20(23)25-13-12-24-19(22)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3.
What are the key properties of 2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate has a molecular weight of 351.36 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 42977015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).