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

C20H15N3O4 — CID 139094775

IUPACethyl 3-phenyl-5-(3-pyridin-2-yl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)noc1-c1conc1-c1ccccn1
InChIInChI=1S/C20H15N3O4/c1-2-25-20(24)16-17(13-8-4-3-5-9-13)23-27-19(16)14-12-26-22-18(14)15-10-6-7-11-21-15/h3-12H,2H2,1H3
InChIKeyAPUBWAFJNIDZCL-UHFFFAOYSA-N
MW361.36 g/mol
LogP4.24
Rot. Bonds5

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

ethyl 3-phenyl-5-(3-pyridin-2-yl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate (PubChem CID 139094775) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is ethyl 3-phenyl-5-(3-pyridin-2-yl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-phenyl-5-(3-pyridin-2-yl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate
PubChem CID139094775
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC Nameethyl 3-phenyl-5-(3-pyridin-2-yl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)noc1-c1conc1-c1ccccn1
InChIInChI=1S/C20H15N3O4/c1-2-25-20(24)16-17(13-8-4-3-5-9-13)23-27-19(16)14-12-26-22-18(14)15-10-6-7-11-21-15/h3-12H,2H2,1H3
InChIKeyAPUBWAFJNIDZCL-UHFFFAOYSA-N
XLogP4.24
TPSA91.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-phenyl-5-(3-phenyl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate
CID 139094776
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-(1-benzyltriazol-4-yl)-3-phenyl-1,2-oxazole-4-carboxylate
CID 71627496
diethyl 2-pyridin-2-ylpyridine-3,4-dicarboxylate;ruthenium
CID 174651960
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-[1-(4-chlorophenyl)triazol-4-yl]-3-phenyl-1,2-oxazole-4-carboxylate
CID 71627503
ethyl 5-[4-[4-(1-ethoxycarbonylcyclopropyl)phenyl]phenyl]-3-phenyl-1,2-oxazole-4-carboxylate
CID 71266194
2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 42977015
methyl 3-pyridin-2-yl-1,2-oxazole-4-carboxylate
CID 767299
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916

Frequently Asked Questions

What is the IUPAC name of ethyl 3-phenyl-5-(3-pyridin-2-yl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 3-phenyl-5-(3-pyridin-2-yl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate (CID 139094775) is ethyl 3-phenyl-5-(3-pyridin-2-yl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 3-phenyl-5-(3-pyridin-2-yl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 3-phenyl-5-(3-pyridin-2-yl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(-c2ccccc2)noc1-c1conc1-c1ccccn1.
What is the InChIKey of ethyl 3-phenyl-5-(3-pyridin-2-yl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate?
The InChIKey is APUBWAFJNIDZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c1-2-25-20(24)16-17(13-8-4-3-5-9-13)23-27-19(16)14-12-26-22-18(14)15-10-6-7-11-21-15/h3-12H,2H2,1H3.
What are the key properties of ethyl 3-phenyl-5-(3-pyridin-2-yl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate?
ethyl 3-phenyl-5-(3-pyridin-2-yl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate has a molecular weight of 361.36 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenyl-5-(3-pyridin-2-yl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 139094775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).