(4R,5R)-3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one

C23H37NO4 — CID 7119710

IUPAC(4R,5R)-3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one
SMILESCC(C)=CCC[C@@]1(C)OC(=O)N(CCOC23CC4CC(CC(C4)C2)C3)[C@]1(C)O
InChIInChI=1S/C23H37NO4/c1-16(2)6-5-7-21(3)22(4,26)24(20(25)28-21)8-9-27-23-13-17-10-18(14-23)12-19(11-17)15-23/h6,17-19,26H,5,7-15H2,1-4H3/t17?,18?,19?,21-,22-,23?/m1/s1
InChIKeyQWLMWFREGFLQJI-OILJTOFKSA-N
MW391.55 g/mol
LogP4.64
Rot. Bonds7

About (4R,5R)-3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one

(4R,5R)-3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one (PubChem CID 7119710) has the molecular formula C23H37NO4 and a molecular weight of 391.55 g/mol. Its IUPAC name is (4R,5R)-3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one
PubChem CID7119710
Molecular FormulaC23H37NO4
Molecular Weight391.55 g/mol
Exact Mass391.27
IUPAC Name(4R,5R)-3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one
SMILESCC(C)=CCC[C@@]1(C)OC(=O)N(CCOC23CC4CC(CC(C4)C2)C3)[C@]1(C)O
InChIInChI=1S/C23H37NO4/c1-16(2)6-5-7-21(3)22(4,26)24(20(25)28-21)8-9-27-23-13-17-10-18(14-23)12-19(11-17)15-23/h6,17-19,26H,5,7-15H2,1-4H3/t17?,18?,19?,21-,22-,23?/m1/s1
InChIKeyQWLMWFREGFLQJI-OILJTOFKSA-N
XLogP4.64
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.55
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one (CID 7119710) is (4R,5R)-3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one is CC(C)=CCC[C@@]1(C)OC(=O)N(CCOC23CC4CC(CC(C4)C2)C3)[C@]1(C)O.
What is the InChIKey of (4R,5R)-3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one?
The InChIKey is QWLMWFREGFLQJI-OILJTOFKSA-N. The full InChI is InChI=1S/C23H37NO4/c1-16(2)6-5-7-21(3)22(4,26)24(20(25)28-21)8-9-27-23-13-17-10-18(14-23)12-19(11-17)15-23/h6,17-19,26H,5,7-15H2,1-4H3/t17?,18?,19?,21-,22-,23?/m1/s1.
What are the key properties of (4R,5R)-3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one?
(4R,5R)-3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one has a molecular weight of 391.55 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 7119710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).