(4R)-3-[(3S,5S)-3,5-dimethyloctanoyl]-4-phenyl-1,3-oxazolidin-2-one

C19H27NO3 — CID 11336098

IUPAC(4R)-3-[(3S,5S)-3,5-dimethyloctanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCCC[C@H](C)C[C@H](C)CC(=O)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C19H27NO3/c1-4-8-14(2)11-15(3)12-18(21)20-17(13-23-19(20)22)16-9-6-5-7-10-16/h5-7,9-10,14-15,17H,4,8,11-13H2,1-3H3/t14-,15-,17-/m0/s1
InChIKeyITEQJMCZCREJJP-ZOBUZTSGSA-N
MW317.43 g/mol
LogP4.56
Rot. Bonds7

About (4R)-3-[(3S,5S)-3,5-dimethyloctanoyl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[(3S,5S)-3,5-dimethyloctanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 11336098) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is (4R)-3-[(3S,5S)-3,5-dimethyloctanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(3S,5S)-3,5-dimethyloctanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID11336098
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name(4R)-3-[(3S,5S)-3,5-dimethyloctanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCCC[C@H](C)C[C@H](C)CC(=O)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C19H27NO3/c1-4-8-14(2)11-15(3)12-18(21)20-17(13-23-19(20)22)16-9-6-5-7-10-16/h5-7,9-10,14-15,17H,4,8,11-13H2,1-3H3/t14-,15-,17-/m0/s1
InChIKeyITEQJMCZCREJJP-ZOBUZTSGSA-N
XLogP4.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(3S,5S)-3,5-dimethyloctanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(3S,5S)-3,5-dimethyloctanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 11336098) is (4R)-3-[(3S,5S)-3,5-dimethyloctanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(3S,5S)-3,5-dimethyloctanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(3S,5S)-3,5-dimethyloctanoyl]-4-phenyl-1,3-oxazolidin-2-one is CCC[C@H](C)C[C@H](C)CC(=O)N1C(=O)OC[C@H]1c1ccccc1.
What is the InChIKey of (4R)-3-[(3S,5S)-3,5-dimethyloctanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is ITEQJMCZCREJJP-ZOBUZTSGSA-N. The full InChI is InChI=1S/C19H27NO3/c1-4-8-14(2)11-15(3)12-18(21)20-17(13-23-19(20)22)16-9-6-5-7-10-16/h5-7,9-10,14-15,17H,4,8,11-13H2,1-3H3/t14-,15-,17-/m0/s1.
What are the key properties of (4R)-3-[(3S,5S)-3,5-dimethyloctanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(3S,5S)-3,5-dimethyloctanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 317.43 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(3S,5S)-3,5-dimethyloctanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11336098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).