(4R)-3-[(2R)-2-[(2R)-6-(10-hydroxydecylidene)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one

C27H35NO6 — CID 6708987

IUPAC(4R)-3-[(2R)-2-[(2R)-6-(10-hydroxydecylidene)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[C@@H](C(=O)N1C(=O)OC[C@H]1c1ccccc1)[C@H]1OC(=CCCCCCCCCCO)C=CC1=O
InChIInChI=1S/C27H35NO6/c1-20(26(31)28-23(19-33-27(28)32)21-13-9-8-10-14-21)25-24(30)17-16-22(34-25)15-11-6-4-2-3-5-7-12-18-29/h8-10,13-17,20,23,25,29H,2-7,11-12,18-19H2,1H3/t20-,23+,25-/m1/s1
InChIKeyPXBQWMSPCUMPRK-JHMXWDHMSA-N
MW469.58 g/mol
LogP4.86
Rot. Bonds12

About (4R)-3-[(2R)-2-[(2R)-6-(10-hydroxydecylidene)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[(2R)-2-[(2R)-6-(10-hydroxydecylidene)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 6708987) has the molecular formula C27H35NO6 and a molecular weight of 469.58 g/mol. Its IUPAC name is (4R)-3-[(2R)-2-[(2R)-6-(10-hydroxydecylidene)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(2R)-2-[(2R)-6-(10-hydroxydecylidene)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID6708987
Molecular FormulaC27H35NO6
Molecular Weight469.58 g/mol
Exact Mass469.25
IUPAC Name(4R)-3-[(2R)-2-[(2R)-6-(10-hydroxydecylidene)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[C@@H](C(=O)N1C(=O)OC[C@H]1c1ccccc1)[C@H]1OC(=CCCCCCCCCCO)C=CC1=O
InChIInChI=1S/C27H35NO6/c1-20(26(31)28-23(19-33-27(28)32)21-13-9-8-10-14-21)25-24(30)17-16-22(34-25)15-11-6-4-2-3-5-7-12-18-29/h8-10,13-17,20,23,25,29H,2-7,11-12,18-19H2,1H3/t20-,23+,25-/m1/s1
InChIKeyPXBQWMSPCUMPRK-JHMXWDHMSA-N
XLogP4.86
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[6-(10-hydroxydecylidene)-3-oxopyran-2-yl]-3-phenylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 4091088
4-benzyl-3-[2-[6-(6-hydroxyhexylidene)-3-oxopyran-2-yl]-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 5243031
(4R)-3-[(2R)-2-[(2R)-6-(4-hydroxybutylidene)-3-oxopyran-2-yl]-3-phenylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 6709422
(4S)-3-[(2S)-2-[(2R)-6-(6-hydroxyhexylidene)-3-oxopyran-2-yl]propanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 23307555
3-[2-[6-(10-hydroxydecylidene)-3-oxopyran-2-yl]-2-methoxyacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 5080615
(4S,5R)-3-[(2S)-2-[(2S)-6-[3-(2-hydroxyethoxy)propylidene]-3-oxopyran-2-yl]propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 6667770
(4R,5S)-3-[(2R)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 23307612
(4R,5S)-3-[(2R)-2-[(2R)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 6667912
(4R)-3-[(2R)-2-[(2S,6S)-5-bromo-6-hydroxy-6-(4-hydroxybutyl)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 23307692
4-phenyl-3-(2-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 59942448
(2R,3R)-1,4-bis[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2,3-diphenylbutane-1,4-dione
CID 10482928
3-[(2R)-2-methyl-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 145030895

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2R)-2-[(2R)-6-(10-hydroxydecylidene)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(2R)-2-[(2R)-6-(10-hydroxydecylidene)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 6708987) is (4R)-3-[(2R)-2-[(2R)-6-(10-hydroxydecylidene)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(2R)-2-[(2R)-6-(10-hydroxydecylidene)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(2R)-2-[(2R)-6-(10-hydroxydecylidene)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one is C[C@@H](C(=O)N1C(=O)OC[C@H]1c1ccccc1)[C@H]1OC(=CCCCCCCCCCO)C=CC1=O.
What is the InChIKey of (4R)-3-[(2R)-2-[(2R)-6-(10-hydroxydecylidene)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is PXBQWMSPCUMPRK-JHMXWDHMSA-N. The full InChI is InChI=1S/C27H35NO6/c1-20(26(31)28-23(19-33-27(28)32)21-13-9-8-10-14-21)25-24(30)17-16-22(34-25)15-11-6-4-2-3-5-7-12-18-29/h8-10,13-17,20,23,25,29H,2-7,11-12,18-19H2,1H3/t20-,23+,25-/m1/s1.
What are the key properties of (4R)-3-[(2R)-2-[(2R)-6-(10-hydroxydecylidene)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(2R)-2-[(2R)-6-(10-hydroxydecylidene)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 469.58 g/mol, XLogP of 4.86, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2R)-2-[(2R)-6-(10-hydroxydecylidene)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 6708987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).