ethyl 3-phenyl-5-(3-phenyl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate

C21H16N2O4 — CID 139094776

IUPACethyl 3-phenyl-5-(3-phenyl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)noc1-c1conc1-c1ccccc1
InChIInChI=1S/C21H16N2O4/c1-2-25-21(24)17-19(15-11-7-4-8-12-15)23-27-20(17)16-13-26-22-18(16)14-9-5-3-6-10-14/h3-13H,2H2,1H3
InChIKeyLJWIJBVYUVYWNO-UHFFFAOYSA-N
MW360.37 g/mol
LogP4.84
Rot. Bonds5

About ethyl 3-phenyl-5-(3-phenyl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate

ethyl 3-phenyl-5-(3-phenyl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate (PubChem CID 139094776) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is ethyl 3-phenyl-5-(3-phenyl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-phenyl-5-(3-phenyl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate
PubChem CID139094776
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Nameethyl 3-phenyl-5-(3-phenyl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)noc1-c1conc1-c1ccccc1
InChIInChI=1S/C21H16N2O4/c1-2-25-21(24)17-19(15-11-7-4-8-12-15)23-27-20(17)16-13-26-22-18(16)14-9-5-3-6-10-14/h3-13H,2H2,1H3
InChIKeyLJWIJBVYUVYWNO-UHFFFAOYSA-N
XLogP4.84
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-phenyl-5-(3-pyridin-2-yl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate
CID 139094775
ethyl 3-(4-chlorophenyl)-5-phenyl-1,2-oxazole-4-carboxylate
CID 131867124
ethyl 3-phenyl-1,2-oxazole-4-carboxylate
CID 871048
ethyl 5-[bromo(difluoro)methyl]-3-phenyl-1,2-oxazole-4-carboxylate
CID 23236715
ethyl 3,5-bis(2-nitrophenyl)-1,2-oxazole-4-carboxylate
CID 131867680
ethyl 5-[4-[4-(1-ethoxycarbonylcyclopropyl)phenyl]phenyl]-3-phenyl-1,2-oxazole-4-carboxylate
CID 71266194
ethyl 5-(1-benzyltriazol-4-yl)-3-phenyl-1,2-oxazole-4-carboxylate
CID 71627496
ethyl 5-[1-(4-chlorophenyl)triazol-4-yl]-3-phenyl-1,2-oxazole-4-carboxylate
CID 71627503
ethyl 3,5-bis(3,4-dichlorophenyl)-1,2-oxazole-4-carboxylate
CID 131868454
ethyl 5-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-3-phenyl-1,2-oxazole-4-carboxylate
CID 15514968
methyl 5-[3,5-bis(4-methoxycarbonyl-3-phenyl-1,2-oxazol-5-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxylate
CID 71829962
2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 42977015

Frequently Asked Questions

What is the IUPAC name of ethyl 3-phenyl-5-(3-phenyl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 3-phenyl-5-(3-phenyl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate (CID 139094776) is ethyl 3-phenyl-5-(3-phenyl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 3-phenyl-5-(3-phenyl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 3-phenyl-5-(3-phenyl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(-c2ccccc2)noc1-c1conc1-c1ccccc1.
What is the InChIKey of ethyl 3-phenyl-5-(3-phenyl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate?
The InChIKey is LJWIJBVYUVYWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c1-2-25-21(24)17-19(15-11-7-4-8-12-15)23-27-20(17)16-13-26-22-18(16)14-9-5-3-6-10-14/h3-13H,2H2,1H3.
What are the key properties of ethyl 3-phenyl-5-(3-phenyl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate?
ethyl 3-phenyl-5-(3-phenyl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate has a molecular weight of 360.37 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenyl-5-(3-phenyl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 139094776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).