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

C19H15NO4 — CID 59608754

IUPACmethyl 5-phenacyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)noc1CC(=O)c1ccccc1
InChIInChI=1S/C19H15NO4/c1-23-19(22)17-16(12-15(21)13-8-4-2-5-9-13)24-20-18(17)14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChIKeyKUAQPHSSJZGUBV-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.55
Rot. Bonds5

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

methyl 5-phenacyl-3-phenyl-1,2-oxazole-4-carboxylate (PubChem CID 59608754) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is methyl 5-phenacyl-3-phenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-phenacyl-3-phenyl-1,2-oxazole-4-carboxylate
PubChem CID59608754
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Namemethyl 5-phenacyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)noc1CC(=O)c1ccccc1
InChIInChI=1S/C19H15NO4/c1-23-19(22)17-16(12-15(21)13-8-4-2-5-9-13)24-20-18(17)14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChIKeyKUAQPHSSJZGUBV-UHFFFAOYSA-N
XLogP3.55
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-bromo-3-phenyl-1,2-oxazole-4-carboxylate
CID 131453089
methyl 5-[3,5-bis(4-methoxycarbonyl-3-phenyl-1,2-oxazol-5-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxylate
CID 71829962
N-methyl-5-(2-oxo-2-pyridin-2-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 22762092
methyl 5-(2,3-dimethylanilino)-3-phenyl-1,2-oxazole-4-carboxylate
CID 53022295
2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 42977015
methyl 4-nitroso-3-phenyl-1,2-oxazole-5-carboxylate
CID 89063636
methyl 5-[(2-chlorophenyl)methylamino]-3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate
CID 53022232
methyl 2-[(E)-2-(5-chloro-3-phenyl-1,2-oxazol-4-yl)ethenyl]-6-methoxybenzoate
CID 46735412
methyl 6-(3-oxo-3-phenylpropanoyl)pyridine-2-carboxylate
CID 91346041
methyl 2,4-dimethoxy-6-phenacylbenzoate
CID 10358262
tert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 10753766
[4-(4-fluorophenyl)-4-oxobutyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7235346

Frequently Asked Questions

What is the IUPAC name of methyl 5-phenacyl-3-phenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 5-phenacyl-3-phenyl-1,2-oxazole-4-carboxylate (CID 59608754) is methyl 5-phenacyl-3-phenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-phenacyl-3-phenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-phenacyl-3-phenyl-1,2-oxazole-4-carboxylate is COC(=O)c1c(-c2ccccc2)noc1CC(=O)c1ccccc1.
What is the InChIKey of methyl 5-phenacyl-3-phenyl-1,2-oxazole-4-carboxylate?
The InChIKey is KUAQPHSSJZGUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c1-23-19(22)17-16(12-15(21)13-8-4-2-5-9-13)24-20-18(17)14-10-6-3-7-11-14/h2-11H,12H2,1H3.
What are the key properties of methyl 5-phenacyl-3-phenyl-1,2-oxazole-4-carboxylate?
methyl 5-phenacyl-3-phenyl-1,2-oxazole-4-carboxylate has a molecular weight of 321.33 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-phenacyl-3-phenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 59608754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).