(2R)-1-[5-(6-hydroxyhexyl)-4-(3-methylphenyl)furan-2-yl]-2-methoxy-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]propane-1,3-dione

C31H35NO7 — CID 6667909

IUPAC(2R)-1-[5-(6-hydroxyhexyl)-4-(3-methylphenyl)furan-2-yl]-2-methoxy-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]propane-1,3-dione
SMILESCO[C@H](C(=O)c1cc(-c2cccc(C)c2)c(CCCCCCO)o1)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C31H35NO7/c1-20-12-11-15-23(18-20)24-19-26(38-25(24)16-9-4-5-10-17-33)27(34)29(37-3)30(35)32-21(2)28(39-31(32)36)22-13-7-6-8-14-22/h6-8,11-15,18-19,21,28-29,33H,4-5,9-10,16-17H2,1-3H3/t21-,28-,29-/m1/s1
InChIKeyZMEGWBBRHXIDQW-HBTXSTMGSA-N
MW533.62 g/mol
LogP5.66
Rot. Bonds12

About (2R)-1-[5-(6-hydroxyhexyl)-4-(3-methylphenyl)furan-2-yl]-2-methoxy-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]propane-1,3-dione

(2R)-1-[5-(6-hydroxyhexyl)-4-(3-methylphenyl)furan-2-yl]-2-methoxy-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]propane-1,3-dione (PubChem CID 6667909) has the molecular formula C31H35NO7 and a molecular weight of 533.62 g/mol. Its IUPAC name is (2R)-1-[5-(6-hydroxyhexyl)-4-(3-methylphenyl)furan-2-yl]-2-methoxy-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]propane-1,3-dione.

Molecular Properties

Compound Name(2R)-1-[5-(6-hydroxyhexyl)-4-(3-methylphenyl)furan-2-yl]-2-methoxy-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]propane-1,3-dione
PubChem CID6667909
Molecular FormulaC31H35NO7
Molecular Weight533.62 g/mol
Exact Mass533.24
IUPAC Name(2R)-1-[5-(6-hydroxyhexyl)-4-(3-methylphenyl)furan-2-yl]-2-methoxy-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]propane-1,3-dione
SMILESCO[C@H](C(=O)c1cc(-c2cccc(C)c2)c(CCCCCCO)o1)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C31H35NO7/c1-20-12-11-15-23(18-20)24-19-26(38-25(24)16-9-4-5-10-17-33)27(34)29(37-3)30(35)32-21(2)28(39-31(32)36)22-13-7-6-8-14-22/h6-8,11-15,18-19,21,28-29,33H,4-5,9-10,16-17H2,1-3H3/t21-,28-,29-/m1/s1
InChIKeyZMEGWBBRHXIDQW-HBTXSTMGSA-N
XLogP5.66
TPSA106.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.62
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R)-1-[5-(6-hydroxyhexyl)-4-(3-methylphenyl)furan-2-yl]-2-methoxy-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]propane-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[5-(6-hydroxyhexyl)-4-(3-methylphenyl)furan-2-yl]-2-methoxy-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]propane-1,3-dione?
The IUPAC name of (2R)-1-[5-(6-hydroxyhexyl)-4-(3-methylphenyl)furan-2-yl]-2-methoxy-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]propane-1,3-dione (CID 6667909) is (2R)-1-[5-(6-hydroxyhexyl)-4-(3-methylphenyl)furan-2-yl]-2-methoxy-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]propane-1,3-dione.
What is the SMILES notation for (2R)-1-[5-(6-hydroxyhexyl)-4-(3-methylphenyl)furan-2-yl]-2-methoxy-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]propane-1,3-dione?
The canonical SMILES for (2R)-1-[5-(6-hydroxyhexyl)-4-(3-methylphenyl)furan-2-yl]-2-methoxy-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]propane-1,3-dione is CO[C@H](C(=O)c1cc(-c2cccc(C)c2)c(CCCCCCO)o1)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C.
What is the InChIKey of (2R)-1-[5-(6-hydroxyhexyl)-4-(3-methylphenyl)furan-2-yl]-2-methoxy-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]propane-1,3-dione?
The InChIKey is ZMEGWBBRHXIDQW-HBTXSTMGSA-N. The full InChI is InChI=1S/C31H35NO7/c1-20-12-11-15-23(18-20)24-19-26(38-25(24)16-9-4-5-10-17-33)27(34)29(37-3)30(35)32-21(2)28(39-31(32)36)22-13-7-6-8-14-22/h6-8,11-15,18-19,21,28-29,33H,4-5,9-10,16-17H2,1-3H3/t21-,28-,29-/m1/s1.
What are the key properties of (2R)-1-[5-(6-hydroxyhexyl)-4-(3-methylphenyl)furan-2-yl]-2-methoxy-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]propane-1,3-dione?
(2R)-1-[5-(6-hydroxyhexyl)-4-(3-methylphenyl)furan-2-yl]-2-methoxy-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]propane-1,3-dione has a molecular weight of 533.62 g/mol, XLogP of 5.66, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[5-(6-hydroxyhexyl)-4-(3-methylphenyl)furan-2-yl]-2-methoxy-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]propane-1,3-dione is sourced from PubChem (CID 6667909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).