(2R)-2-methyl-1,4-bis[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]butane-1,4-dione

C23H22N2O4 — CID 7373147

IUPAC(2R)-2-methyl-1,4-bis[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]butane-1,4-dione
SMILESC[C@H](CC(=O)[C@@H]1CC(c2ccccc2)=NO1)C(=O)[C@@H]1CC(c2ccccc2)=NO1
InChIInChI=1S/C23H22N2O4/c1-15(23(27)22-14-19(25-29-22)17-10-6-3-7-11-17)12-20(26)21-13-18(24-28-21)16-8-4-2-5-9-16/h2-11,15,21-22H,12-14H2,1H3/t15-,21+,22+/m1/s1
InChIKeyMHGINERDKHNSHR-YDFBLROQSA-N
MW390.44 g/mol
LogP3.54
Rot. Bonds7

About (2R)-2-methyl-1,4-bis[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]butane-1,4-dione

(2R)-2-methyl-1,4-bis[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]butane-1,4-dione (PubChem CID 7373147) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is (2R)-2-methyl-1,4-bis[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]butane-1,4-dione.

Molecular Properties

Compound Name(2R)-2-methyl-1,4-bis[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]butane-1,4-dione
PubChem CID7373147
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name(2R)-2-methyl-1,4-bis[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]butane-1,4-dione
SMILESC[C@H](CC(=O)[C@@H]1CC(c2ccccc2)=NO1)C(=O)[C@@H]1CC(c2ccccc2)=NO1
InChIInChI=1S/C23H22N2O4/c1-15(23(27)22-14-19(25-29-22)17-10-6-3-7-11-17)12-20(26)21-13-18(24-28-21)16-8-4-2-5-9-16/h2-11,15,21-22H,12-14H2,1H3/t15-,21+,22+/m1/s1
InChIKeyMHGINERDKHNSHR-YDFBLROQSA-N
XLogP3.54
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-2-methyl-1,4-bis[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]butane-1,4-dione with MolForge

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Related Compounds

(2R)-2-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-4-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]butane-1,4-dione
CID 124714563
1-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone
CID 822979
3-methyl-2-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 43353871
3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid;hydrobromide
CID 162314316
N-(2-methylpropoxy)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 115410297
(5S)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95322598
N-[(2S)-1-hydroxybutan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 104981037
benzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 14998593
2-methoxy-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 106107378
2,2-dimethyl-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 81369512
(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 29078820
[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone
CID 92884168

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1,4-bis[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]butane-1,4-dione?
The IUPAC name of (2R)-2-methyl-1,4-bis[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]butane-1,4-dione (CID 7373147) is (2R)-2-methyl-1,4-bis[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]butane-1,4-dione.
What is the SMILES notation for (2R)-2-methyl-1,4-bis[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]butane-1,4-dione?
The canonical SMILES for (2R)-2-methyl-1,4-bis[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]butane-1,4-dione is C[C@H](CC(=O)[C@@H]1CC(c2ccccc2)=NO1)C(=O)[C@@H]1CC(c2ccccc2)=NO1.
What is the InChIKey of (2R)-2-methyl-1,4-bis[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]butane-1,4-dione?
The InChIKey is MHGINERDKHNSHR-YDFBLROQSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-15(23(27)22-14-19(25-29-22)17-10-6-3-7-11-17)12-20(26)21-13-18(24-28-21)16-8-4-2-5-9-16/h2-11,15,21-22H,12-14H2,1H3/t15-,21+,22+/m1/s1.
What are the key properties of (2R)-2-methyl-1,4-bis[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]butane-1,4-dione?
(2R)-2-methyl-1,4-bis[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]butane-1,4-dione has a molecular weight of 390.44 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1,4-bis[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]butane-1,4-dione is sourced from PubChem (CID 7373147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).