4-benzyl-3-[(2R)-2-(4-phenylcyclohexyl)propanoyl]-1,3-oxazolidin-2-one

C25H29NO3 — CID 71156180

IUPAC4-benzyl-3-[(2R)-2-(4-phenylcyclohexyl)propanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](C(=O)N1C(=O)OCC1Cc1ccccc1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C25H29NO3/c1-18(20-12-14-22(15-13-20)21-10-6-3-7-11-21)24(27)26-23(17-29-25(26)28)16-19-8-4-2-5-9-19/h2-11,18,20,22-23H,12-17H2,1H3/t18-,20?,22?,23?/m1/s1
InChIKeyJHSGYSQDRWDYBZ-PYENRMDFSA-N
MW391.51 g/mol
LogP5.19
Rot. Bonds5

About 4-benzyl-3-[(2R)-2-(4-phenylcyclohexyl)propanoyl]-1,3-oxazolidin-2-one

4-benzyl-3-[(2R)-2-(4-phenylcyclohexyl)propanoyl]-1,3-oxazolidin-2-one (PubChem CID 71156180) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is 4-benzyl-3-[(2R)-2-(4-phenylcyclohexyl)propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[(2R)-2-(4-phenylcyclohexyl)propanoyl]-1,3-oxazolidin-2-one
PubChem CID71156180
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC Name4-benzyl-3-[(2R)-2-(4-phenylcyclohexyl)propanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](C(=O)N1C(=O)OCC1Cc1ccccc1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C25H29NO3/c1-18(20-12-14-22(15-13-20)21-10-6-3-7-11-21)24(27)26-23(17-29-25(26)28)16-19-8-4-2-5-9-19/h2-11,18,20,22-23H,12-17H2,1H3/t18-,20?,22?,23?/m1/s1
InChIKeyJHSGYSQDRWDYBZ-PYENRMDFSA-N
XLogP5.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-benzyl-3-[(2S)-3-fluoro-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 129274259
(2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methylbutane-1,3-dione
CID 102120797
tert-butyl (3S)-3-[(2R)-1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-1-oxopropan-2-yl]pyrrolidine-1-carboxylate
CID 176826601
(4S)-4-benzyl-3-[(2S)-2-bromo-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 14604024
4-benzyl-3-(3-bromo-2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 76787138
(4R)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one
CID 118941522
4-benzyl-3-[2-(hydroxymethyl)-3-methylbutanoyl]-1,3-oxazolidin-2-one;titanium(4+);tetrachloride
CID 173180549
(4R)-4-benzyl-3-[(2S)-2-benzyl-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 10545886
(4R)-4-benzyl-3-(2-propan-2-yloxyacetyl)-1,3-oxazolidin-2-one
CID 90130755
4-benzyl-3-[(2S)-2-ethyl-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 175760920
(4S)-4-benzyl-3-(2-ethyl-3-methylbutanoyl)-1,3-oxazolidin-2-one
CID 155316900
(4S)-4-benzyl-3-[(E)-2-methylpent-3-enoyl]-1,3-oxazolidin-2-one
CID 126628879

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[(2R)-2-(4-phenylcyclohexyl)propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[(2R)-2-(4-phenylcyclohexyl)propanoyl]-1,3-oxazolidin-2-one (CID 71156180) is 4-benzyl-3-[(2R)-2-(4-phenylcyclohexyl)propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[(2R)-2-(4-phenylcyclohexyl)propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[(2R)-2-(4-phenylcyclohexyl)propanoyl]-1,3-oxazolidin-2-one is C[C@@H](C(=O)N1C(=O)OCC1Cc1ccccc1)C1CCC(c2ccccc2)CC1.
What is the InChIKey of 4-benzyl-3-[(2R)-2-(4-phenylcyclohexyl)propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is JHSGYSQDRWDYBZ-PYENRMDFSA-N. The full InChI is InChI=1S/C25H29NO3/c1-18(20-12-14-22(15-13-20)21-10-6-3-7-11-21)24(27)26-23(17-29-25(26)28)16-19-8-4-2-5-9-19/h2-11,18,20,22-23H,12-17H2,1H3/t18-,20?,22?,23?/m1/s1.
What are the key properties of 4-benzyl-3-[(2R)-2-(4-phenylcyclohexyl)propanoyl]-1,3-oxazolidin-2-one?
4-benzyl-3-[(2R)-2-(4-phenylcyclohexyl)propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 391.51 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[(2R)-2-(4-phenylcyclohexyl)propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71156180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).