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

C16H16N2O4 — CID 86282038

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one
SMILESCC(=O)CC1(O)C(=O)Nc2ccc(-c3c(C)noc3C)cc21
InChIInChI=1S/C16H16N2O4/c1-8(19)7-16(21)12-6-11(4-5-13(12)17-15(16)20)14-9(2)18-22-10(14)3/h4-6,21H,7H2,1-3H3,(H,17,20)
InChIKeyAODNCEXDYIHRMJ-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.08
Rot. Bonds3

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

5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one (PubChem CID 86282038) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one
PubChem CID86282038
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one
SMILESCC(=O)CC1(O)C(=O)Nc2ccc(-c3c(C)noc3C)cc21
InChIInChI=1S/C16H16N2O4/c1-8(19)7-16(21)12-6-11(4-5-13(12)17-15(16)20)14-9(2)18-22-10(14)3/h4-6,21H,7H2,1-3H3,(H,17,20)
InChIKeyAODNCEXDYIHRMJ-UHFFFAOYSA-N
XLogP2.08
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 86296101
CID 86296101
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CID 86280820
CID 86280820
CID 86280821
CID 86280821
CID 86280967
CID 86280967
CID 86280969
CID 86280969
CID 86280970
CID 86280970
CID 86280971
CID 86280971
CID 86280972
CID 86280972
CID 86281375
CID 86281375
CID 86281376
CID 86281376
CID 86281771
CID 86281771

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one (CID 86282038) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one is CC(=O)CC1(O)C(=O)Nc2ccc(-c3c(C)noc3C)cc21.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one?
The InChIKey is AODNCEXDYIHRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-8(19)7-16(21)12-6-11(4-5-13(12)17-15(16)20)14-9(2)18-22-10(14)3/h4-6,21H,7H2,1-3H3,(H,17,20).
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one has a molecular weight of 300.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one is sourced from PubChem (CID 86282038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).