(4R)-3-[(2R,3S,4S)-3,5-dihydroxy-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one

C25H31NO5 — CID 69363114

IUPAC(4R)-3-[(2R,3S,4S)-3,5-dihydroxy-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1N(C(=O)[C@H](C)[C@@H](O)[C@@H](C)CO)C(=O)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H31NO5/c1-16(2)22-25(19-11-7-5-8-12-19,20-13-9-6-10-14-20)31-24(30)26(22)23(29)18(4)21(28)17(3)15-27/h5-14,16-18,21-22,27-28H,15H2,1-4H3/t17-,18+,21-,22+/m0/s1
InChIKeyFKRWFZDLMCKDQK-GKJHBJHPSA-N
MW425.53 g/mol
LogP3.56
Rot. Bonds7

About (4R)-3-[(2R,3S,4S)-3,5-dihydroxy-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one

(4R)-3-[(2R,3S,4S)-3,5-dihydroxy-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 69363114) has the molecular formula C25H31NO5 and a molecular weight of 425.53 g/mol. Its IUPAC name is (4R)-3-[(2R,3S,4S)-3,5-dihydroxy-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(2R,3S,4S)-3,5-dihydroxy-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID69363114
Molecular FormulaC25H31NO5
Molecular Weight425.53 g/mol
Exact Mass425.22
IUPAC Name(4R)-3-[(2R,3S,4S)-3,5-dihydroxy-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1N(C(=O)[C@H](C)[C@@H](O)[C@@H](C)CO)C(=O)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H31NO5/c1-16(2)22-25(19-11-7-5-8-12-19,20-13-9-6-10-14-20)31-24(30)26(22)23(29)18(4)21(28)17(3)15-27/h5-14,16-18,21-22,27-28H,15H2,1-4H3/t17-,18+,21-,22+/m0/s1
InChIKeyFKRWFZDLMCKDQK-GKJHBJHPSA-N
XLogP3.56
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2R,3S,4S)-3,5-dihydroxy-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(2R,3S,4S)-3,5-dihydroxy-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 69363114) is (4R)-3-[(2R,3S,4S)-3,5-dihydroxy-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(2R,3S,4S)-3,5-dihydroxy-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(2R,3S,4S)-3,5-dihydroxy-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1N(C(=O)[C@H](C)[C@@H](O)[C@@H](C)CO)C(=O)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (4R)-3-[(2R,3S,4S)-3,5-dihydroxy-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is FKRWFZDLMCKDQK-GKJHBJHPSA-N. The full InChI is InChI=1S/C25H31NO5/c1-16(2)22-25(19-11-7-5-8-12-19,20-13-9-6-10-14-20)31-24(30)26(22)23(29)18(4)21(28)17(3)15-27/h5-14,16-18,21-22,27-28H,15H2,1-4H3/t17-,18+,21-,22+/m0/s1.
What are the key properties of (4R)-3-[(2R,3S,4S)-3,5-dihydroxy-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4R)-3-[(2R,3S,4S)-3,5-dihydroxy-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 425.53 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2R,3S,4S)-3,5-dihydroxy-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 69363114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).