5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3-phenyl-1H-inden-2-one

C21H19NO2 — CID 148832001

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3-phenyl-1H-inden-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(C)(c1ccccc1)C(=O)C2
InChIInChI=1S/C21H19NO2/c1-13-20(14(2)24-22-13)16-10-9-15-12-19(23)21(3,18(15)11-16)17-7-5-4-6-8-17/h4-11H,12H2,1-3H3
InChIKeyOTWADUCPKXTNHQ-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.39
Rot. Bonds2

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3-phenyl-1H-inden-2-one

5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3-phenyl-1H-inden-2-one (PubChem CID 148832001) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3-phenyl-1H-inden-2-one.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3-phenyl-1H-inden-2-one
PubChem CID148832001
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3-phenyl-1H-inden-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(C)(c1ccccc1)C(=O)C2
InChIInChI=1S/C21H19NO2/c1-13-20(14(2)24-22-13)16-10-9-15-12-19(23)21(3,18(15)11-16)17-7-5-4-6-8-17/h4-11H,12H2,1-3H3
InChIKeyOTWADUCPKXTNHQ-UHFFFAOYSA-N
XLogP4.39
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2-dimethyl-1-phenyl-4H-isoquinolin-3-one
CID 158134141
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
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
3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-piperazin-1-yl-1H-inden-2-one
CID 152877042
(1S)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1-phenyl-1,4-dihydroisoquinolin-3-one
CID 158308730
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2S)-3-hydroxy-2-methylpropyl]-3-phenyl-1H-indol-2-one
CID 158705182
6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydro-1H-quinazolin-2-one
CID 144546360
5-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168600311
6-(3,5-dimethyl-1,2-oxazol-4-yl)-4,4,8-trimethyl-1H-3,1-benzoxazin-2-one
CID 11694890
2,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one
CID 137205106
4-[4-[6-(4-methoxyphenyl)-2-phenylpyrimidin-4-yl]phenyl]-3,5-dimethyl-1,2-oxazole
CID 118721631

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3-phenyl-1H-inden-2-one?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3-phenyl-1H-inden-2-one (CID 148832001) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3-phenyl-1H-inden-2-one.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3-phenyl-1H-inden-2-one?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3-phenyl-1H-inden-2-one is Cc1noc(C)c1-c1ccc2c(c1)C(C)(c1ccccc1)C(=O)C2.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3-phenyl-1H-inden-2-one?
The InChIKey is OTWADUCPKXTNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-13-20(14(2)24-22-13)16-10-9-15-12-19(23)21(3,18(15)11-16)17-7-5-4-6-8-17/h4-11H,12H2,1-3H3.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3-phenyl-1H-inden-2-one?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3-phenyl-1H-inden-2-one has a molecular weight of 317.39 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3-phenyl-1H-inden-2-one is sourced from PubChem (CID 148832001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).