(2R)-1-[(4R)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-[5-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]-4-(3-methylphenyl)furan-2-yl]-2-methylpropane-1,3-dione

C36H45NO8 — CID 6667685

IUPAC(2R)-1-[(4R)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-[5-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]-4-(3-methylphenyl)furan-2-yl]-2-methylpropane-1,3-dione
SMILESCc1cccc(-c2cc(C(=O)[C@@H](C)C(=O)N3C(=O)OC(C)(C)[C@H]3C(C)C)oc2CCCOC[C@@H](CO)OCc2ccccc2)c1
InChIInChI=1S/C36H45NO8/c1-23(2)33-36(5,6)45-35(41)37(33)34(40)25(4)32(39)31-19-29(27-15-10-12-24(3)18-27)30(44-31)16-11-17-42-22-28(20-38)43-21-26-13-8-7-9-14-26/h7-10,12-15,18-19,23,25,28,33,38H,11,16-17,20-22H2,1-6H3/t25-,28-,33-/m1/s1
InChIKeyCWRMPFCWPDNXMT-XBFSGRNCSA-N
MW619.76 g/mol
LogP6.38
Rot. Bonds15

About (2R)-1-[(4R)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-[5-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]-4-(3-methylphenyl)furan-2-yl]-2-methylpropane-1,3-dione

(2R)-1-[(4R)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-[5-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]-4-(3-methylphenyl)furan-2-yl]-2-methylpropane-1,3-dione (PubChem CID 6667685) has the molecular formula C36H45NO8 and a molecular weight of 619.76 g/mol. Its IUPAC name is (2R)-1-[(4R)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-[5-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]-4-(3-methylphenyl)furan-2-yl]-2-methylpropane-1,3-dione.

Molecular Properties

Compound Name(2R)-1-[(4R)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-[5-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]-4-(3-methylphenyl)furan-2-yl]-2-methylpropane-1,3-dione
PubChem CID6667685
Molecular FormulaC36H45NO8
Molecular Weight619.76 g/mol
Exact Mass619.31
IUPAC Name(2R)-1-[(4R)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-[5-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]-4-(3-methylphenyl)furan-2-yl]-2-methylpropane-1,3-dione
SMILESCc1cccc(-c2cc(C(=O)[C@@H](C)C(=O)N3C(=O)OC(C)(C)[C@H]3C(C)C)oc2CCCOC[C@@H](CO)OCc2ccccc2)c1
InChIInChI=1S/C36H45NO8/c1-23(2)33-36(5,6)45-35(41)37(33)34(40)25(4)32(39)31-19-29(27-15-10-12-24(3)18-27)30(44-31)16-11-17-42-22-28(20-38)43-21-26-13-8-7-9-14-26/h7-10,12-15,18-19,23,25,28,33,38H,11,16-17,20-22H2,1-6H3/t25-,28-,33-/m1/s1
InChIKeyCWRMPFCWPDNXMT-XBFSGRNCSA-N
XLogP6.38
TPSA115.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.76
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2R)-1-[(4R)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-[5-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]-4-(3-methylphenyl)furan-2-yl]-2-methylpropane-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4R)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-[5-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]-4-(3-methylphenyl)furan-2-yl]-2-methylpropane-1,3-dione?
The IUPAC name of (2R)-1-[(4R)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-[5-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]-4-(3-methylphenyl)furan-2-yl]-2-methylpropane-1,3-dione (CID 6667685) is (2R)-1-[(4R)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-[5-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]-4-(3-methylphenyl)furan-2-yl]-2-methylpropane-1,3-dione.
What is the SMILES notation for (2R)-1-[(4R)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-[5-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]-4-(3-methylphenyl)furan-2-yl]-2-methylpropane-1,3-dione?
The canonical SMILES for (2R)-1-[(4R)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-[5-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]-4-(3-methylphenyl)furan-2-yl]-2-methylpropane-1,3-dione is Cc1cccc(-c2cc(C(=O)[C@@H](C)C(=O)N3C(=O)OC(C)(C)[C@H]3C(C)C)oc2CCCOC[C@@H](CO)OCc2ccccc2)c1.
What is the InChIKey of (2R)-1-[(4R)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-[5-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]-4-(3-methylphenyl)furan-2-yl]-2-methylpropane-1,3-dione?
The InChIKey is CWRMPFCWPDNXMT-XBFSGRNCSA-N. The full InChI is InChI=1S/C36H45NO8/c1-23(2)33-36(5,6)45-35(41)37(33)34(40)25(4)32(39)31-19-29(27-15-10-12-24(3)18-27)30(44-31)16-11-17-42-22-28(20-38)43-21-26-13-8-7-9-14-26/h7-10,12-15,18-19,23,25,28,33,38H,11,16-17,20-22H2,1-6H3/t25-,28-,33-/m1/s1.
What are the key properties of (2R)-1-[(4R)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-[5-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]-4-(3-methylphenyl)furan-2-yl]-2-methylpropane-1,3-dione?
(2R)-1-[(4R)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-[5-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]-4-(3-methylphenyl)furan-2-yl]-2-methylpropane-1,3-dione has a molecular weight of 619.76 g/mol, XLogP of 6.38, 15 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4R)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-[5-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]-4-(3-methylphenyl)furan-2-yl]-2-methylpropane-1,3-dione is sourced from PubChem (CID 6667685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).