(2R,3R)-3-hydroxy-2-methyl-1-[(4S,5R)-4-methyl-5-phenyl-2-selanylidene-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one

C20H21NO3Se — CID 101070993

IUPAC(2R,3R)-3-hydroxy-2-methyl-1-[(4S,5R)-4-methyl-5-phenyl-2-selanylidene-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one
SMILESC[C@@H](C(=O)N1C(=[Se])O[C@H](c2ccccc2)[C@@H]1C)[C@@H](O)c1ccccc1
InChIInChI=1S/C20H21NO3Se/c1-13(17(22)15-9-5-3-6-10-15)19(23)21-14(2)18(24-20(21)25)16-11-7-4-8-12-16/h3-14,17-18,22H,1-2H3/t13-,14+,17-,18+/m1/s1
InChIKeyRVZQCDIUEBEDGX-NONVJHHQSA-N
MW402.35 g/mol
LogP2.60
Rot. Bonds4

About (2R,3R)-3-hydroxy-2-methyl-1-[(4S,5R)-4-methyl-5-phenyl-2-selanylidene-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one

(2R,3R)-3-hydroxy-2-methyl-1-[(4S,5R)-4-methyl-5-phenyl-2-selanylidene-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one (PubChem CID 101070993) has the molecular formula C20H21NO3Se and a molecular weight of 402.35 g/mol. Its IUPAC name is (2R,3R)-3-hydroxy-2-methyl-1-[(4S,5R)-4-methyl-5-phenyl-2-selanylidene-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name(2R,3R)-3-hydroxy-2-methyl-1-[(4S,5R)-4-methyl-5-phenyl-2-selanylidene-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one
PubChem CID101070993
Molecular FormulaC20H21NO3Se
Molecular Weight402.35 g/mol
Exact Mass403.07
IUPAC Name(2R,3R)-3-hydroxy-2-methyl-1-[(4S,5R)-4-methyl-5-phenyl-2-selanylidene-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one
SMILESC[C@@H](C(=O)N1C(=[Se])O[C@H](c2ccccc2)[C@@H]1C)[C@@H](O)c1ccccc1
InChIInChI=1S/C20H21NO3Se/c1-13(17(22)15-9-5-3-6-10-15)19(23)21-14(2)18(24-20(21)25)16-11-7-4-8-12-16/h3-14,17-18,22H,1-2H3/t13-,14+,17-,18+/m1/s1
InChIKeyRVZQCDIUEBEDGX-NONVJHHQSA-N
XLogP2.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(+/-)-Clausenamide
CID 5315946
Secoclausenamide
CID 10424832
(4S)-3-[(2S,3S)-4-benzyl-3-hydroxy-2-methylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 49846980
(+)Clausenamide
CID 128412
L-Clausenamide
CID 9904294
(-)-Cis-Clausenamide
CID 10125525
(+)-Epi-Neoclausenamide
CID 10149518
(+)Neoclausenamide
CID 10149519
(-)-Epi-Clausenamide
CID 10149520
(+)Cis-Clausenamide
CID 10171735
Neoclausenamide
CID 10214903
(+)-Cis-Neoclausenamide
CID 10214905

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-hydroxy-2-methyl-1-[(4S,5R)-4-methyl-5-phenyl-2-selanylidene-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one?
The IUPAC name of (2R,3R)-3-hydroxy-2-methyl-1-[(4S,5R)-4-methyl-5-phenyl-2-selanylidene-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one (CID 101070993) is (2R,3R)-3-hydroxy-2-methyl-1-[(4S,5R)-4-methyl-5-phenyl-2-selanylidene-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one.
What is the SMILES notation for (2R,3R)-3-hydroxy-2-methyl-1-[(4S,5R)-4-methyl-5-phenyl-2-selanylidene-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one?
The canonical SMILES for (2R,3R)-3-hydroxy-2-methyl-1-[(4S,5R)-4-methyl-5-phenyl-2-selanylidene-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one is C[C@@H](C(=O)N1C(=[Se])O[C@H](c2ccccc2)[C@@H]1C)[C@@H](O)c1ccccc1.
What is the InChIKey of (2R,3R)-3-hydroxy-2-methyl-1-[(4S,5R)-4-methyl-5-phenyl-2-selanylidene-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one?
The InChIKey is RVZQCDIUEBEDGX-NONVJHHQSA-N. The full InChI is InChI=1S/C20H21NO3Se/c1-13(17(22)15-9-5-3-6-10-15)19(23)21-14(2)18(24-20(21)25)16-11-7-4-8-12-16/h3-14,17-18,22H,1-2H3/t13-,14+,17-,18+/m1/s1.
What are the key properties of (2R,3R)-3-hydroxy-2-methyl-1-[(4S,5R)-4-methyl-5-phenyl-2-selanylidene-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one?
(2R,3R)-3-hydroxy-2-methyl-1-[(4S,5R)-4-methyl-5-phenyl-2-selanylidene-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one has a molecular weight of 402.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-hydroxy-2-methyl-1-[(4S,5R)-4-methyl-5-phenyl-2-selanylidene-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 101070993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).