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

C15H16N2O3 — CID 86282722

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-3-hydroxy-1H-indol-2-one
SMILESCCC1(O)C(=O)Nc2ccc(-c3c(C)noc3C)cc21
InChIInChI=1S/C15H16N2O3/c1-4-15(19)11-7-10(5-6-12(11)16-14(15)18)13-8(2)17-20-9(13)3/h5-7,19H,4H2,1-3H3,(H,16,18)
InChIKeySQPWJRKOCCOBMI-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.51
Rot. Bonds2

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

5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-3-hydroxy-1H-indol-2-one (PubChem CID 86282722) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-3-hydroxy-1H-indol-2-one
PubChem CID86282722
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-3-hydroxy-1H-indol-2-one
SMILESCCC1(O)C(=O)Nc2ccc(-c3c(C)noc3C)cc21
InChIInChI=1S/C15H16N2O3/c1-4-15(19)11-7-10(5-6-12(11)16-14(15)18)13-8(2)17-20-9(13)3/h5-7,19H,4H2,1-3H3,(H,16,18)
InChIKeySQPWJRKOCCOBMI-UHFFFAOYSA-N
XLogP2.51
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 86296101
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CID 850471
CID 850471
CID 850473
CID 850473
CID 155515565
CID 155515565
CID 148077962
CID 148077962
CID 86280820
CID 86280820
CID 86280821
CID 86280821
CID 86280822
CID 86280822
CID 86280823
CID 86280823
CID 86280824
CID 86280824
CID 86280825
CID 86280825

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-3-hydroxy-1H-indol-2-one?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-3-hydroxy-1H-indol-2-one (CID 86282722) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-3-hydroxy-1H-indol-2-one is CCC1(O)C(=O)Nc2ccc(-c3c(C)noc3C)cc21.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-3-hydroxy-1H-indol-2-one?
The InChIKey is SQPWJRKOCCOBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-4-15(19)11-7-10(5-6-12(11)16-14(15)18)13-8(2)17-20-9(13)3/h5-7,19H,4H2,1-3H3,(H,16,18).
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-3-hydroxy-1H-indol-2-one?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-3-hydroxy-1H-indol-2-one has a molecular weight of 272.30 g/mol, XLogP of 2.51, 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-ethyl-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 86282722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).