1-(4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl)-2-[5-(4-phenylphenyl)furan-2-yl]ethane-1,2-dione

C30H27NO4 — CID 18380414

IUPAC1-(4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl)-2-[5-(4-phenylphenyl)furan-2-yl]ethane-1,2-dione
SMILESCC1(C)OCC(Cc2ccccc2)N1C(=O)C(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C30H27NO4/c1-30(2)31(25(20-34-30)19-21-9-5-3-6-10-21)29(33)28(32)27-18-17-26(35-27)24-15-13-23(14-16-24)22-11-7-4-8-12-22/h3-18,25H,19-20H2,1-2H3
InChIKeyHUJPMBFKBLJBON-UHFFFAOYSA-N
MW465.55 g/mol
LogP6.00
Rot. Bonds6

About 1-(4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl)-2-[5-(4-phenylphenyl)furan-2-yl]ethane-1,2-dione

1-(4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl)-2-[5-(4-phenylphenyl)furan-2-yl]ethane-1,2-dione (PubChem CID 18380414) has the molecular formula C30H27NO4 and a molecular weight of 465.55 g/mol. Its IUPAC name is 1-(4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl)-2-[5-(4-phenylphenyl)furan-2-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-(4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl)-2-[5-(4-phenylphenyl)furan-2-yl]ethane-1,2-dione
PubChem CID18380414
Molecular FormulaC30H27NO4
Molecular Weight465.55 g/mol
Exact Mass465.19
IUPAC Name1-(4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl)-2-[5-(4-phenylphenyl)furan-2-yl]ethane-1,2-dione
SMILESCC1(C)OCC(Cc2ccccc2)N1C(=O)C(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C30H27NO4/c1-30(2)31(25(20-34-30)19-21-9-5-3-6-10-21)29(33)28(32)27-18-17-26(35-27)24-15-13-23(14-16-24)22-11-7-4-8-12-22/h3-18,25H,19-20H2,1-2H3
InChIKeyHUJPMBFKBLJBON-UHFFFAOYSA-N
XLogP6.00
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.55
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl)-2-[5-(4-phenylphenyl)furan-2-yl]ethane-1,2-dione?
The IUPAC name of 1-(4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl)-2-[5-(4-phenylphenyl)furan-2-yl]ethane-1,2-dione (CID 18380414) is 1-(4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl)-2-[5-(4-phenylphenyl)furan-2-yl]ethane-1,2-dione.
What is the SMILES notation for 1-(4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl)-2-[5-(4-phenylphenyl)furan-2-yl]ethane-1,2-dione?
The canonical SMILES for 1-(4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl)-2-[5-(4-phenylphenyl)furan-2-yl]ethane-1,2-dione is CC1(C)OCC(Cc2ccccc2)N1C(=O)C(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)o1.
What is the InChIKey of 1-(4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl)-2-[5-(4-phenylphenyl)furan-2-yl]ethane-1,2-dione?
The InChIKey is HUJPMBFKBLJBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO4/c1-30(2)31(25(20-34-30)19-21-9-5-3-6-10-21)29(33)28(32)27-18-17-26(35-27)24-15-13-23(14-16-24)22-11-7-4-8-12-22/h3-18,25H,19-20H2,1-2H3.
What are the key properties of 1-(4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl)-2-[5-(4-phenylphenyl)furan-2-yl]ethane-1,2-dione?
1-(4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl)-2-[5-(4-phenylphenyl)furan-2-yl]ethane-1,2-dione has a molecular weight of 465.55 g/mol, XLogP of 6.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl)-2-[5-(4-phenylphenyl)furan-2-yl]ethane-1,2-dione is sourced from PubChem (CID 18380414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).