diethyl 3-phenyl-4,6-dihydrocyclopenta[d][1,2]oxazole-5,5-dicarboxylate

C18H19NO5 — CID 10735115

IUPACdiethyl 3-phenyl-4,6-dihydrocyclopenta[d][1,2]oxazole-5,5-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)Cc2onc(-c3ccccc3)c2C1
InChIInChI=1S/C18H19NO5/c1-3-22-16(20)18(17(21)23-4-2)10-13-14(11-18)24-19-15(13)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyVZPRWCCVAWRPDL-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.55
Rot. Bonds5

About diethyl 3-phenyl-4,6-dihydrocyclopenta[d][1,2]oxazole-5,5-dicarboxylate

diethyl 3-phenyl-4,6-dihydrocyclopenta[d][1,2]oxazole-5,5-dicarboxylate (PubChem CID 10735115) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is diethyl 3-phenyl-4,6-dihydrocyclopenta[d][1,2]oxazole-5,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-phenyl-4,6-dihydrocyclopenta[d][1,2]oxazole-5,5-dicarboxylate
PubChem CID10735115
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Namediethyl 3-phenyl-4,6-dihydrocyclopenta[d][1,2]oxazole-5,5-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)Cc2onc(-c3ccccc3)c2C1
InChIInChI=1S/C18H19NO5/c1-3-22-16(20)18(17(21)23-4-2)10-13-14(11-18)24-19-15(13)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyVZPRWCCVAWRPDL-UHFFFAOYSA-N
XLogP2.55
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[5-acetyl-3-(4-methylphenyl)-4,6-dihydrocyclopenta[d][1,2]oxazol-5-yl]ethanone
CID 10755413
diethyl 5,6-bis(hydroxymethyl)-4,7-diphenyl-1,3-dihydroindene-2,2-dicarboxylate
CID 59398687
diethyl 4-fluoro-5,6,7-triphenyl-1,3-dihydroindene-2,2-dicarboxylate
CID 122203109
ethyl 5-[4-[4-(1-ethoxycarbonylcyclopropyl)phenyl]phenyl]-3-phenyl-1,2-oxazole-4-carboxylate
CID 71266194
hexaethyl tetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene-3,3,11,11,19,19-hexacarboxylate
CID 15782308
ethyl 3-(4-chlorophenyl)-5-phenyl-1,2-oxazole-4-carboxylate
CID 131867124
ethyl 2-amino-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)propanoate
CID 170884921
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
diethyl 4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate
CID 15814402
5,6-dimethyl-3-phenyl-4,7-dihydro-1,2-benzoxazole
CID 14929766
ethyl 5-(benzhydrylideneamino)-3-phenyl-4H-1,2-oxazole-5-carboxylate
CID 10092273
ethyl 5-[bromo(difluoro)methyl]-3-phenyl-1,2-oxazole-4-carboxylate
CID 23236715

Frequently Asked Questions

What is the IUPAC name of diethyl 3-phenyl-4,6-dihydrocyclopenta[d][1,2]oxazole-5,5-dicarboxylate?
The IUPAC name of diethyl 3-phenyl-4,6-dihydrocyclopenta[d][1,2]oxazole-5,5-dicarboxylate (CID 10735115) is diethyl 3-phenyl-4,6-dihydrocyclopenta[d][1,2]oxazole-5,5-dicarboxylate.
What is the SMILES notation for diethyl 3-phenyl-4,6-dihydrocyclopenta[d][1,2]oxazole-5,5-dicarboxylate?
The canonical SMILES for diethyl 3-phenyl-4,6-dihydrocyclopenta[d][1,2]oxazole-5,5-dicarboxylate is CCOC(=O)C1(C(=O)OCC)Cc2onc(-c3ccccc3)c2C1.
What is the InChIKey of diethyl 3-phenyl-4,6-dihydrocyclopenta[d][1,2]oxazole-5,5-dicarboxylate?
The InChIKey is VZPRWCCVAWRPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-3-22-16(20)18(17(21)23-4-2)10-13-14(11-18)24-19-15(13)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3.
What are the key properties of diethyl 3-phenyl-4,6-dihydrocyclopenta[d][1,2]oxazole-5,5-dicarboxylate?
diethyl 3-phenyl-4,6-dihydrocyclopenta[d][1,2]oxazole-5,5-dicarboxylate has a molecular weight of 329.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-phenyl-4,6-dihydrocyclopenta[d][1,2]oxazole-5,5-dicarboxylate is sourced from PubChem (CID 10735115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).