(4R)-4-benzhydryl-3-[(3S)-3,4-dimethylpentanoyl]-1,3-oxazolidin-2-one

C23H27NO3 — CID 11068542

IUPAC(4R)-4-benzhydryl-3-[(3S)-3,4-dimethylpentanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H](C)CC(=O)N1C(=O)OC[C@H]1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H27NO3/c1-16(2)17(3)14-21(25)24-20(15-27-23(24)26)22(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16-17,20,22H,14-15H2,1-3H3/t17-,20-/m0/s1
InChIKeyOXWBHOVABRXFER-PXNSSMCTSA-N
MW365.47 g/mol
LogP4.85
Rot. Bonds6

About (4R)-4-benzhydryl-3-[(3S)-3,4-dimethylpentanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzhydryl-3-[(3S)-3,4-dimethylpentanoyl]-1,3-oxazolidin-2-one (PubChem CID 11068542) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is (4R)-4-benzhydryl-3-[(3S)-3,4-dimethylpentanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzhydryl-3-[(3S)-3,4-dimethylpentanoyl]-1,3-oxazolidin-2-one
PubChem CID11068542
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name(4R)-4-benzhydryl-3-[(3S)-3,4-dimethylpentanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H](C)CC(=O)N1C(=O)OC[C@H]1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H27NO3/c1-16(2)17(3)14-21(25)24-20(15-27-23(24)26)22(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16-17,20,22H,14-15H2,1-3H3/t17-,20-/m0/s1
InChIKeyOXWBHOVABRXFER-PXNSSMCTSA-N
XLogP4.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzhydryl-3-[(3S)-3,4-dimethylpentanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzhydryl-3-[(3S)-3,4-dimethylpentanoyl]-1,3-oxazolidin-2-one (CID 11068542) is (4R)-4-benzhydryl-3-[(3S)-3,4-dimethylpentanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzhydryl-3-[(3S)-3,4-dimethylpentanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzhydryl-3-[(3S)-3,4-dimethylpentanoyl]-1,3-oxazolidin-2-one is CC(C)[C@@H](C)CC(=O)N1C(=O)OC[C@H]1C(c1ccccc1)c1ccccc1.
What is the InChIKey of (4R)-4-benzhydryl-3-[(3S)-3,4-dimethylpentanoyl]-1,3-oxazolidin-2-one?
The InChIKey is OXWBHOVABRXFER-PXNSSMCTSA-N. The full InChI is InChI=1S/C23H27NO3/c1-16(2)17(3)14-21(25)24-20(15-27-23(24)26)22(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16-17,20,22H,14-15H2,1-3H3/t17-,20-/m0/s1.
What are the key properties of (4R)-4-benzhydryl-3-[(3S)-3,4-dimethylpentanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzhydryl-3-[(3S)-3,4-dimethylpentanoyl]-1,3-oxazolidin-2-one has a molecular weight of 365.47 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzhydryl-3-[(3S)-3,4-dimethylpentanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11068542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).