methyl 2-[2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidin-1-yl]-5-hydroxy-4,4-dimethylpentanoate

C26H32N2O7 — CID 70072667

IUPACmethyl 2-[2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidin-1-yl]-5-hydroxy-4,4-dimethylpentanoate
SMILESCOC(=O)C(CC(C)(C)CO)N1C(=O)C(N2C(=O)OC[C@H]2c2ccccc2)C1CCc1ccco1
InChIInChI=1S/C26H32N2O7/c1-26(2,16-29)14-20(24(31)33-3)27-19(12-11-18-10-7-13-34-18)22(23(27)30)28-21(15-35-25(28)32)17-8-5-4-6-9-17/h4-10,13,19-22,29H,11-12,14-16H2,1-3H3/t19?,20?,21-,22?/m0/s1
InChIKeyRSRRARNMJRKWFU-GMONCZTGSA-N
MW484.55 g/mol
LogP2.94
Rot. Bonds10

About methyl 2-[2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidin-1-yl]-5-hydroxy-4,4-dimethylpentanoate

methyl 2-[2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidin-1-yl]-5-hydroxy-4,4-dimethylpentanoate (PubChem CID 70072667) has the molecular formula C26H32N2O7 and a molecular weight of 484.55 g/mol. Its IUPAC name is methyl 2-[2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidin-1-yl]-5-hydroxy-4,4-dimethylpentanoate.

Molecular Properties

Compound Namemethyl 2-[2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidin-1-yl]-5-hydroxy-4,4-dimethylpentanoate
PubChem CID70072667
Molecular FormulaC26H32N2O7
Molecular Weight484.55 g/mol
Exact Mass484.22
IUPAC Namemethyl 2-[2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidin-1-yl]-5-hydroxy-4,4-dimethylpentanoate
SMILESCOC(=O)C(CC(C)(C)CO)N1C(=O)C(N2C(=O)OC[C@H]2c2ccccc2)C1CCc1ccco1
InChIInChI=1S/C26H32N2O7/c1-26(2,16-29)14-20(24(31)33-3)27-19(12-11-18-10-7-13-34-18)22(23(27)30)28-21(15-35-25(28)32)17-8-5-4-6-9-17/h4-10,13,19-22,29H,11-12,14-16H2,1-3H3/t19?,20?,21-,22?/m0/s1
InChIKeyRSRRARNMJRKWFU-GMONCZTGSA-N
XLogP2.94
TPSA109.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidin-1-yl]-5-hydroxy-4,4-dimethylpentanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidin-1-yl]-5-hydroxy-4,4-dimethylpentanoate?
The IUPAC name of methyl 2-[2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidin-1-yl]-5-hydroxy-4,4-dimethylpentanoate (CID 70072667) is methyl 2-[2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidin-1-yl]-5-hydroxy-4,4-dimethylpentanoate.
What is the SMILES notation for methyl 2-[2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidin-1-yl]-5-hydroxy-4,4-dimethylpentanoate?
The canonical SMILES for methyl 2-[2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidin-1-yl]-5-hydroxy-4,4-dimethylpentanoate is COC(=O)C(CC(C)(C)CO)N1C(=O)C(N2C(=O)OC[C@H]2c2ccccc2)C1CCc1ccco1.
What is the InChIKey of methyl 2-[2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidin-1-yl]-5-hydroxy-4,4-dimethylpentanoate?
The InChIKey is RSRRARNMJRKWFU-GMONCZTGSA-N. The full InChI is InChI=1S/C26H32N2O7/c1-26(2,16-29)14-20(24(31)33-3)27-19(12-11-18-10-7-13-34-18)22(23(27)30)28-21(15-35-25(28)32)17-8-5-4-6-9-17/h4-10,13,19-22,29H,11-12,14-16H2,1-3H3/t19?,20?,21-,22?/m0/s1.
What are the key properties of methyl 2-[2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidin-1-yl]-5-hydroxy-4,4-dimethylpentanoate?
methyl 2-[2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidin-1-yl]-5-hydroxy-4,4-dimethylpentanoate has a molecular weight of 484.55 g/mol, XLogP of 2.94, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidin-1-yl]-5-hydroxy-4,4-dimethylpentanoate is sourced from PubChem (CID 70072667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).