(4R)-3-[(Z,2R)-4-methoxy-2-methylbut-3-enoyl]-4,5,5-triphenyl-1,3-oxazolidin-2-one

C27H25NO4 — CID 132557266

IUPAC(4R)-3-[(Z,2R)-4-methoxy-2-methylbut-3-enoyl]-4,5,5-triphenyl-1,3-oxazolidin-2-one
SMILESCO/C=C\[C@@H](C)C(=O)N1C(=O)OC(c2ccccc2)(c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C27H25NO4/c1-20(18-19-31-2)25(29)28-24(21-12-6-3-7-13-21)27(32-26(28)30,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-20,24H,1-2H3/b19-18-/t20-,24-/m1/s1
InChIKeyGZZMDMMWFIFRBG-QKKKZYNFSA-N
MW427.50 g/mol
LogP5.45
Rot. Bonds6

About (4R)-3-[(Z,2R)-4-methoxy-2-methylbut-3-enoyl]-4,5,5-triphenyl-1,3-oxazolidin-2-one

(4R)-3-[(Z,2R)-4-methoxy-2-methylbut-3-enoyl]-4,5,5-triphenyl-1,3-oxazolidin-2-one (PubChem CID 132557266) has the molecular formula C27H25NO4 and a molecular weight of 427.50 g/mol. Its IUPAC name is (4R)-3-[(Z,2R)-4-methoxy-2-methylbut-3-enoyl]-4,5,5-triphenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(Z,2R)-4-methoxy-2-methylbut-3-enoyl]-4,5,5-triphenyl-1,3-oxazolidin-2-one
PubChem CID132557266
Molecular FormulaC27H25NO4
Molecular Weight427.50 g/mol
Exact Mass427.18
IUPAC Name(4R)-3-[(Z,2R)-4-methoxy-2-methylbut-3-enoyl]-4,5,5-triphenyl-1,3-oxazolidin-2-one
SMILESCO/C=C\[C@@H](C)C(=O)N1C(=O)OC(c2ccccc2)(c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C27H25NO4/c1-20(18-19-31-2)25(29)28-24(21-12-6-3-7-13-21)27(32-26(28)30,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-20,24H,1-2H3/b19-18-/t20-,24-/m1/s1
InChIKeyGZZMDMMWFIFRBG-QKKKZYNFSA-N
XLogP5.45
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (4R)-3-[(Z,2R)-4-methoxy-2-methylbut-3-enoyl]-4,5,5-triphenyl-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4S)-3-[(2S)-2-(4-chlorophenyl)propanoyl]-4,5,5-triphenyl-1,3-oxazolidin-2-one
CID 102413091
(4R)-4,5,5-triphenyl-3-[(E)-4-phenylmethoxybut-2-enoyl]-1,3-oxazolidin-2-one
CID 102292332
5,5-diphenyl-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one
CID 5251096
(4R)-5,5-diphenyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15854117
3-[(E)-3-nitroprop-2-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102166389
(4R)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one
CID 10501109
(4S)-3-[(2S)-2-(methoxymethoxy)-2-phenylacetyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15893991
(4R)-3-benzyl-4,5,5-triphenyl-1,3-oxazolidin-2-one
CID 10763812
(4R)-3-[(2R,3S,4S)-3,5-dihydroxy-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 69363114
(4S)-3-acetyl-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 159791502
(4S)-3-[(1Z)-1-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 139049588
(4S)-3-[(2S)-2-[(4-bromophenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 58354357

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(Z,2R)-4-methoxy-2-methylbut-3-enoyl]-4,5,5-triphenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(Z,2R)-4-methoxy-2-methylbut-3-enoyl]-4,5,5-triphenyl-1,3-oxazolidin-2-one (CID 132557266) is (4R)-3-[(Z,2R)-4-methoxy-2-methylbut-3-enoyl]-4,5,5-triphenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(Z,2R)-4-methoxy-2-methylbut-3-enoyl]-4,5,5-triphenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(Z,2R)-4-methoxy-2-methylbut-3-enoyl]-4,5,5-triphenyl-1,3-oxazolidin-2-one is CO/C=C\[C@@H](C)C(=O)N1C(=O)OC(c2ccccc2)(c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (4R)-3-[(Z,2R)-4-methoxy-2-methylbut-3-enoyl]-4,5,5-triphenyl-1,3-oxazolidin-2-one?
The InChIKey is GZZMDMMWFIFRBG-QKKKZYNFSA-N. The full InChI is InChI=1S/C27H25NO4/c1-20(18-19-31-2)25(29)28-24(21-12-6-3-7-13-21)27(32-26(28)30,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-20,24H,1-2H3/b19-18-/t20-,24-/m1/s1.
What are the key properties of (4R)-3-[(Z,2R)-4-methoxy-2-methylbut-3-enoyl]-4,5,5-triphenyl-1,3-oxazolidin-2-one?
(4R)-3-[(Z,2R)-4-methoxy-2-methylbut-3-enoyl]-4,5,5-triphenyl-1,3-oxazolidin-2-one has a molecular weight of 427.50 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(Z,2R)-4-methoxy-2-methylbut-3-enoyl]-4,5,5-triphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 132557266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).