3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one

C17H17N5O2 — CID 118611496

IUPAC3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one
SMILESCc1nnc(-c2ccc3c(c2)N(c2cn(C)cn2)C(=O)C3(C)C)o1
InChIInChI=1S/C17H17N5O2/c1-10-19-20-15(24-10)11-5-6-12-13(7-11)22(16(23)17(12,2)3)14-8-21(4)9-18-14/h5-9H,1-4H3
InChIKeyPPWUZZZGAJNXBC-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.73
Rot. Bonds2

About 3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one

3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one (PubChem CID 118611496) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one
PubChem CID118611496
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one
SMILESCc1nnc(-c2ccc3c(c2)N(c2cn(C)cn2)C(=O)C3(C)C)o1
InChIInChI=1S/C17H17N5O2/c1-10-19-20-15(24-10)11-5-6-12-13(7-11)22(16(23)17(12,2)3)14-8-21(4)9-18-14/h5-9H,1-4H3
InChIKeyPPWUZZZGAJNXBC-UHFFFAOYSA-N
XLogP2.73
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one?
The IUPAC name of 3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one (CID 118611496) is 3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one.
What is the SMILES notation for 3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one?
The canonical SMILES for 3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one is Cc1nnc(-c2ccc3c(c2)N(c2cn(C)cn2)C(=O)C3(C)C)o1.
What is the InChIKey of 3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one?
The InChIKey is PPWUZZZGAJNXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-10-19-20-15(24-10)11-5-6-12-13(7-11)22(16(23)17(12,2)3)14-8-21(4)9-18-14/h5-9H,1-4H3.
What are the key properties of 3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one?
3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one has a molecular weight of 323.36 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one is sourced from PubChem (CID 118611496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).