3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one

C24H26FNO4 — CID 138733884

IUPAC3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=C[C@@H](O)C(C)(F)C(=O)N1C(=O)OC(c2ccccc2)(c2ccccc2)C1C(C)C
InChIInChI=1S/C24H26FNO4/c1-5-19(27)23(4,25)21(28)26-20(16(2)3)24(30-22(26)29,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h5-16,19-20,27H,1H2,2-4H3/t19-,20?,23?/m1/s1
InChIKeyLEUPNRIKKPSPQZ-RZFJCUDFSA-N
MW411.47 g/mol
LogP4.21
Rot. Bonds6

About 3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one

3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 138733884) has the molecular formula C24H26FNO4 and a molecular weight of 411.47 g/mol. Its IUPAC name is 3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID138733884
Molecular FormulaC24H26FNO4
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=C[C@@H](O)C(C)(F)C(=O)N1C(=O)OC(c2ccccc2)(c2ccccc2)C1C(C)C
InChIInChI=1S/C24H26FNO4/c1-5-19(27)23(4,25)21(28)26-20(16(2)3)24(30-22(26)29,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h5-16,19-20,27H,1H2,2-4H3/t19-,20?,23?/m1/s1
InChIKeyLEUPNRIKKPSPQZ-RZFJCUDFSA-N
XLogP4.21
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.21
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 3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 138733884) is 3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one is C=C[C@@H](O)C(C)(F)C(=O)N1C(=O)OC(c2ccccc2)(c2ccccc2)C1C(C)C.
What is the InChIKey of 3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is LEUPNRIKKPSPQZ-RZFJCUDFSA-N. The full InChI is InChI=1S/C24H26FNO4/c1-5-19(27)23(4,25)21(28)26-20(16(2)3)24(30-22(26)29,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h5-16,19-20,27H,1H2,2-4H3/t19-,20?,23?/m1/s1.
What are the key properties of 3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 411.47 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 138733884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).