4-(4-methoxydibenzofuran-1-yl)-1-[[4-(1,2-oxazol-5-yl)phenyl]methyl]pyrrolidin-2-one

C27H22N2O4 — CID 54576665

IUPAC4-(4-methoxydibenzofuran-1-yl)-1-[[4-(1,2-oxazol-5-yl)phenyl]methyl]pyrrolidin-2-one
SMILESCOc1ccc(C2CC(=O)N(Cc3ccc(-c4ccno4)cc3)C2)c2c1oc1ccccc12
InChIInChI=1S/C27H22N2O4/c1-31-24-11-10-20(26-21-4-2-3-5-23(21)32-27(24)26)19-14-25(30)29(16-19)15-17-6-8-18(9-7-17)22-12-13-28-33-22/h2-13,19H,14-16H2,1H3
InChIKeyUTJDHUIBROECDV-UHFFFAOYSA-N
MW438.48 g/mol
LogP5.77
Rot. Bonds5

About 4-(4-methoxydibenzofuran-1-yl)-1-[[4-(1,2-oxazol-5-yl)phenyl]methyl]pyrrolidin-2-one

4-(4-methoxydibenzofuran-1-yl)-1-[[4-(1,2-oxazol-5-yl)phenyl]methyl]pyrrolidin-2-one (PubChem CID 54576665) has the molecular formula C27H22N2O4 and a molecular weight of 438.48 g/mol. Its IUPAC name is 4-(4-methoxydibenzofuran-1-yl)-1-[[4-(1,2-oxazol-5-yl)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-methoxydibenzofuran-1-yl)-1-[[4-(1,2-oxazol-5-yl)phenyl]methyl]pyrrolidin-2-one
PubChem CID54576665
Molecular FormulaC27H22N2O4
Molecular Weight438.48 g/mol
Exact Mass438.16
IUPAC Name4-(4-methoxydibenzofuran-1-yl)-1-[[4-(1,2-oxazol-5-yl)phenyl]methyl]pyrrolidin-2-one
SMILESCOc1ccc(C2CC(=O)N(Cc3ccc(-c4ccno4)cc3)C2)c2c1oc1ccccc12
InChIInChI=1S/C27H22N2O4/c1-31-24-11-10-20(26-21-4-2-3-5-23(21)32-27(24)26)19-14-25(30)29(16-19)15-17-6-8-18(9-7-17)22-12-13-28-33-22/h2-13,19H,14-16H2,1H3
InChIKeyUTJDHUIBROECDV-UHFFFAOYSA-N
XLogP5.77
TPSA68.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.48
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxydibenzofuran-1-yl)-1-[[4-(1,2-oxazol-5-yl)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 4-(4-methoxydibenzofuran-1-yl)-1-[[4-(1,2-oxazol-5-yl)phenyl]methyl]pyrrolidin-2-one (CID 54576665) is 4-(4-methoxydibenzofuran-1-yl)-1-[[4-(1,2-oxazol-5-yl)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(4-methoxydibenzofuran-1-yl)-1-[[4-(1,2-oxazol-5-yl)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(4-methoxydibenzofuran-1-yl)-1-[[4-(1,2-oxazol-5-yl)phenyl]methyl]pyrrolidin-2-one is COc1ccc(C2CC(=O)N(Cc3ccc(-c4ccno4)cc3)C2)c2c1oc1ccccc12.
What is the InChIKey of 4-(4-methoxydibenzofuran-1-yl)-1-[[4-(1,2-oxazol-5-yl)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is UTJDHUIBROECDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O4/c1-31-24-11-10-20(26-21-4-2-3-5-23(21)32-27(24)26)19-14-25(30)29(16-19)15-17-6-8-18(9-7-17)22-12-13-28-33-22/h2-13,19H,14-16H2,1H3.
What are the key properties of 4-(4-methoxydibenzofuran-1-yl)-1-[[4-(1,2-oxazol-5-yl)phenyl]methyl]pyrrolidin-2-one?
4-(4-methoxydibenzofuran-1-yl)-1-[[4-(1,2-oxazol-5-yl)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 438.48 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxydibenzofuran-1-yl)-1-[[4-(1,2-oxazol-5-yl)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 54576665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).