5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2S)-3-hydroxy-2-methylpropyl]-3-phenyl-1H-indol-2-one

C23H24N2O3 — CID 158705182

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2S)-3-hydroxy-2-methylpropyl]-3-phenyl-1H-indol-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(C[C@H](C)CO)(c1ccccc1)C(=O)N2
InChIInChI=1S/C23H24N2O3/c1-14(13-26)12-23(18-7-5-4-6-8-18)19-11-17(9-10-20(19)24-22(23)27)21-15(2)25-28-16(21)3/h4-11,14,26H,12-13H2,1-3H3,(H,24,27)/t14-,23?/m0/s1
InChIKeyWITKQPRDEMDPGS-JRQMZCAUSA-N
MW376.46 g/mol
LogP4.22
Rot. Bonds5

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2S)-3-hydroxy-2-methylpropyl]-3-phenyl-1H-indol-2-one

5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2S)-3-hydroxy-2-methylpropyl]-3-phenyl-1H-indol-2-one (PubChem CID 158705182) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2S)-3-hydroxy-2-methylpropyl]-3-phenyl-1H-indol-2-one.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2S)-3-hydroxy-2-methylpropyl]-3-phenyl-1H-indol-2-one
PubChem CID158705182
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2S)-3-hydroxy-2-methylpropyl]-3-phenyl-1H-indol-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(C[C@H](C)CO)(c1ccccc1)C(=O)N2
InChIInChI=1S/C23H24N2O3/c1-14(13-26)12-23(18-7-5-4-6-8-18)19-11-17(9-10-20(19)24-22(23)27)21-15(2)25-28-16(21)3/h4-11,14,26H,12-13H2,1-3H3,(H,24,27)/t14-,23?/m0/s1
InChIKeyWITKQPRDEMDPGS-JRQMZCAUSA-N
XLogP4.22
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2S)-3-hydroxy-2-methylpropyl]-3-phenyl-1H-indol-2-one with MolForge

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Related Compounds

5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethyl)-3-phenyl-1H-indol-2-one
CID 86281901
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-hydroxypropyl]amino]-3-phenyl-1H-indol-2-one;sulfane
CID 159707842
methyl (2R)-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-phenyl-1H-indol-3-yl]methyl]-3-(3H-pyrrol-4-yl)propanoate;sulfane
CID 158495046
3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-hydroxypropan-2-ylamino)-1H-indol-2-one
CID 118691555
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3-phenyl-1H-inden-2-one
CID 148832001
7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2-dimethyl-1-phenyl-4H-isoquinolin-3-one
CID 158134141
3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(Z)-2-hydroxyprop-1-enyl]amino]-1H-indol-2-one
CID 138538690
6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-4-phenyl-1,4-dihydroquinazolin-2-one
CID 86273096
3-cyclohexyl-3-[2-(dimethylamino)ethylamino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one
CID 86281108
9-(3,5-dimethyl-1,2-oxazol-4-yl)-10b-phenyl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one
CID 86295675
4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one
CID 121375785
(3R)-4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one
CID 121375783

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2S)-3-hydroxy-2-methylpropyl]-3-phenyl-1H-indol-2-one?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2S)-3-hydroxy-2-methylpropyl]-3-phenyl-1H-indol-2-one (CID 158705182) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2S)-3-hydroxy-2-methylpropyl]-3-phenyl-1H-indol-2-one.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2S)-3-hydroxy-2-methylpropyl]-3-phenyl-1H-indol-2-one?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2S)-3-hydroxy-2-methylpropyl]-3-phenyl-1H-indol-2-one is Cc1noc(C)c1-c1ccc2c(c1)C(C[C@H](C)CO)(c1ccccc1)C(=O)N2.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2S)-3-hydroxy-2-methylpropyl]-3-phenyl-1H-indol-2-one?
The InChIKey is WITKQPRDEMDPGS-JRQMZCAUSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-14(13-26)12-23(18-7-5-4-6-8-18)19-11-17(9-10-20(19)24-22(23)27)21-15(2)25-28-16(21)3/h4-11,14,26H,12-13H2,1-3H3,(H,24,27)/t14-,23?/m0/s1.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2S)-3-hydroxy-2-methylpropyl]-3-phenyl-1H-indol-2-one?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2S)-3-hydroxy-2-methylpropyl]-3-phenyl-1H-indol-2-one has a molecular weight of 376.46 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2S)-3-hydroxy-2-methylpropyl]-3-phenyl-1H-indol-2-one is sourced from PubChem (CID 158705182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).