(4S)-3-[(3R)-3-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one

C24H26FNO4 — CID 118373761

IUPAC(4S)-3-[(3R)-3-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(C[C@@H](c1ccc(F)cc1)C1CCC(O)CC1)N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C24H26FNO4/c25-19-10-6-16(7-11-19)21(17-8-12-20(27)13-9-17)14-23(28)26-22(15-30-24(26)29)18-4-2-1-3-5-18/h1-7,10-11,17,20-22,27H,8-9,12-15H2/t17?,20?,21-,22+/m0/s1
InChIKeyZRHSBBAKNLYFIH-POHXSPKXSA-N
MW411.47 g/mol
LogP4.57
Rot. Bonds5

About (4S)-3-[(3R)-3-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(3R)-3-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 118373761) has the molecular formula C24H26FNO4 and a molecular weight of 411.47 g/mol. Its IUPAC name is (4S)-3-[(3R)-3-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(3R)-3-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID118373761
Molecular FormulaC24H26FNO4
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name(4S)-3-[(3R)-3-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(C[C@@H](c1ccc(F)cc1)C1CCC(O)CC1)N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C24H26FNO4/c25-19-10-6-16(7-11-19)21(17-8-12-20(27)13-9-17)14-23(28)26-22(15-30-24(26)29)18-4-2-1-3-5-18/h1-7,10-11,17,20-22,27H,8-9,12-15H2/t17?,20?,21-,22+/m0/s1
InChIKeyZRHSBBAKNLYFIH-POHXSPKXSA-N
XLogP4.57
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-3-[(3R)-3-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-3-[(3R)-3-(4-fluorophenyl)-3-(4-methoxycyclohexyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 118374214
(4R)-3-[(3S)-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 59063674
(4S)-3-[(3S)-3-(4-chlorophenyl)-3-(4-ethoxycyclohexyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 140777673
3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 67991997
(4S)-3-[(3S)-3-(4-fluoroanilino)-3-(4-phenylmethoxyphenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 139492193
(4R)-4-phenyl-3-(3-phenylpent-4-enoyl)-1,3-oxazolidin-2-one
CID 15314139
(4S)-3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 67259947
3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 67259946
(4S)-4-phenyl-3-[4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one
CID 15472864
(4S)-3-[(3R)-4-methyl-3-phenylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 163564616
3-[3-(4-fluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 72797044
dichloromethane;1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione
CID 174975371

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3R)-3-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(3R)-3-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 118373761) is (4S)-3-[(3R)-3-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(3R)-3-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(3R)-3-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one is O=C(C[C@@H](c1ccc(F)cc1)C1CCC(O)CC1)N1C(=O)OC[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-3-[(3R)-3-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is ZRHSBBAKNLYFIH-POHXSPKXSA-N. The full InChI is InChI=1S/C24H26FNO4/c25-19-10-6-16(7-11-19)21(17-8-12-20(27)13-9-17)14-23(28)26-22(15-30-24(26)29)18-4-2-1-3-5-18/h1-7,10-11,17,20-22,27H,8-9,12-15H2/t17?,20?,21-,22+/m0/s1.
What are the key properties of (4S)-3-[(3R)-3-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(3R)-3-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 411.47 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3R)-3-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 118373761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).