5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-propan-2-yl-1H-indol-2-one

C16H18N2O3 — CID 86282859

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-propan-2-yl-1H-indol-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(O)(C(C)C)C(=O)N2
InChIInChI=1S/C16H18N2O3/c1-8(2)16(20)12-7-11(5-6-13(12)17-15(16)19)14-9(3)18-21-10(14)4/h5-8,20H,1-4H3,(H,17,19)
InChIKeySHVXKBUJOYKZGR-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.75
Rot. Bonds2

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-propan-2-yl-1H-indol-2-one

5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-propan-2-yl-1H-indol-2-one (PubChem CID 86282859) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-propan-2-yl-1H-indol-2-one.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-propan-2-yl-1H-indol-2-one
PubChem CID86282859
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-propan-2-yl-1H-indol-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(O)(C(C)C)C(=O)N2
InChIInChI=1S/C16H18N2O3/c1-8(2)16(20)12-7-11(5-6-13(12)17-15(16)19)14-9(3)18-21-10(14)4/h5-8,20H,1-4H3,(H,17,19)
InChIKeySHVXKBUJOYKZGR-UHFFFAOYSA-N
XLogP2.75
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,5-Dimethylisoxazol-4-yl)-3-hydroxy-3-phenylindolin-2-one
CID 86296101
4-(benzylamino)-6-(3,5-dimethylisoxazol-4-yl)quinolin-2(1H)-one
CID 117625006
N-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-2,1-benzisoxazole-3-carboxamide
CID 850471
N-(2-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzisoxazole-3-carboxamide
CID 850473
3-[(3S)-3-aminopiperidin-1-yl]-3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one
CID 155515565
2-[4-(3,5-Dimethyl-1,2-oxazol-4-yl)-2,6-dimethylanilino]benzoic acid
CID 148077962
5-(3,5-Dimethylisoxazol-4-yl)-3-(2-hydroxyethylamino)-3-phenylindolin-2-one
CID 86280820
3-Amino-5-(3,5-dimethylisoxazol-4-yl)-3-phenylindolin-2-one
CID 86280821
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-methylpiperazin-1-yl)-3-phenyl-1H-indol-2-one
CID 86280822
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-morpholin-4-yl-3-phenyl-1H-indol-2-one
CID 86280823
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3S)-3-hydroxypiperidin-1-yl]-3-phenyl-1H-indol-2-one
CID 86280824
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-hydroxypiperidin-1-yl)-3-phenyl-1H-indol-2-one
CID 86280825

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-propan-2-yl-1H-indol-2-one?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-propan-2-yl-1H-indol-2-one (CID 86282859) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-propan-2-yl-1H-indol-2-one.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-propan-2-yl-1H-indol-2-one?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-propan-2-yl-1H-indol-2-one is Cc1noc(C)c1-c1ccc2c(c1)C(O)(C(C)C)C(=O)N2.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-propan-2-yl-1H-indol-2-one?
The InChIKey is SHVXKBUJOYKZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-8(2)16(20)12-7-11(5-6-13(12)17-15(16)19)14-9(3)18-21-10(14)4/h5-8,20H,1-4H3,(H,17,19).
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-propan-2-yl-1H-indol-2-one?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-propan-2-yl-1H-indol-2-one has a molecular weight of 286.33 g/mol, XLogP of 2.75, 2 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-hydroxy-3-propan-2-yl-1H-indol-2-one is sourced from PubChem (CID 86282859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).