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

C18H18N4O2 — CID 118613964

IUPAC3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(2-methyl-1,3-oxazol-5-yl)indol-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(c2cn(C)cn2)C(=O)C3(C)C)o1
InChIInChI=1S/C18H18N4O2/c1-11-19-8-15(24-11)12-5-6-13-14(7-12)22(17(23)18(13,2)3)16-9-21(4)10-20-16/h5-10H,1-4H3
InChIKeyQBDVVDTUYDDQLB-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.34
Rot. Bonds2

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

3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(2-methyl-1,3-oxazol-5-yl)indol-2-one (PubChem CID 118613964) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(2-methyl-1,3-oxazol-5-yl)indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(2-methyl-1,3-oxazol-5-yl)indol-2-one
PubChem CID118613964
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(2-methyl-1,3-oxazol-5-yl)indol-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(c2cn(C)cn2)C(=O)C3(C)C)o1
InChIInChI=1S/C18H18N4O2/c1-11-19-8-15(24-11)12-5-6-13-14(7-12)22(17(23)18(13,2)3)16-9-21(4)10-20-16/h5-10H,1-4H3
InChIKeyQBDVVDTUYDDQLB-UHFFFAOYSA-N
XLogP3.34
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(2-methyl-1,3-oxazol-5-yl)indol-2-one?
The IUPAC name of 3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(2-methyl-1,3-oxazol-5-yl)indol-2-one (CID 118613964) is 3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(2-methyl-1,3-oxazol-5-yl)indol-2-one.
What is the SMILES notation for 3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(2-methyl-1,3-oxazol-5-yl)indol-2-one?
The canonical SMILES for 3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(2-methyl-1,3-oxazol-5-yl)indol-2-one is Cc1ncc(-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-(2-methyl-1,3-oxazol-5-yl)indol-2-one?
The InChIKey is QBDVVDTUYDDQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11-19-8-15(24-11)12-5-6-13-14(7-12)22(17(23)18(13,2)3)16-9-21(4)10-20-16/h5-10H,1-4H3.
What are the key properties of 3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(2-methyl-1,3-oxazol-5-yl)indol-2-one?
3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(2-methyl-1,3-oxazol-5-yl)indol-2-one has a molecular weight of 322.37 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(2-methyl-1,3-oxazol-5-yl)indol-2-one is sourced from PubChem (CID 118613964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).