3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(4-methyl-1H-pyrazol-5-yl)indol-2-one

C18H18N4O2 — CID 118611596

IUPAC3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(4-methyl-1H-pyrazol-5-yl)indol-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(c2[nH]ncc2C)C(=O)C3(C)C)o1
InChIInChI=1S/C18H18N4O2/c1-10-8-20-21-16(10)22-14-7-12(15-9-19-11(2)24-15)5-6-13(14)18(3,4)17(22)23/h5-9H,1-4H3,(H,20,21)
InChIKeyZELXRNLJPJSBRF-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.64
Rot. Bonds2

About 3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(4-methyl-1H-pyrazol-5-yl)indol-2-one

3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(4-methyl-1H-pyrazol-5-yl)indol-2-one (PubChem CID 118611596) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(4-methyl-1H-pyrazol-5-yl)indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(4-methyl-1H-pyrazol-5-yl)indol-2-one
PubChem CID118611596
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(4-methyl-1H-pyrazol-5-yl)indol-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(c2[nH]ncc2C)C(=O)C3(C)C)o1
InChIInChI=1S/C18H18N4O2/c1-10-8-20-21-16(10)22-14-7-12(15-9-19-11(2)24-15)5-6-13(14)18(3,4)17(22)23/h5-9H,1-4H3,(H,20,21)
InChIKeyZELXRNLJPJSBRF-UHFFFAOYSA-N
XLogP3.64
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(4-methyl-1H-pyrazol-5-yl)indol-2-one?
The IUPAC name of 3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(4-methyl-1H-pyrazol-5-yl)indol-2-one (CID 118611596) is 3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(4-methyl-1H-pyrazol-5-yl)indol-2-one.
What is the SMILES notation for 3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(4-methyl-1H-pyrazol-5-yl)indol-2-one?
The canonical SMILES for 3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(4-methyl-1H-pyrazol-5-yl)indol-2-one is Cc1ncc(-c2ccc3c(c2)N(c2[nH]ncc2C)C(=O)C3(C)C)o1.
What is the InChIKey of 3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(4-methyl-1H-pyrazol-5-yl)indol-2-one?
The InChIKey is ZELXRNLJPJSBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-10-8-20-21-16(10)22-14-7-12(15-9-19-11(2)24-15)5-6-13(14)18(3,4)17(22)23/h5-9H,1-4H3,(H,20,21).
What are the key properties of 3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(4-methyl-1H-pyrazol-5-yl)indol-2-one?
3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(4-methyl-1H-pyrazol-5-yl)indol-2-one has a molecular weight of 322.37 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(4-methyl-1H-pyrazol-5-yl)indol-2-one is sourced from PubChem (CID 118611596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).