1,3,3-trimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one

C21H21N3O2 — CID 118525935

IUPAC1,3,3-trimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one
SMILESCc1cc(-c2nc(C)c(-c3ccc4c(c3)N(C)C(=O)C4(C)C)o2)ccn1
InChIInChI=1S/C21H21N3O2/c1-12-10-15(8-9-22-12)19-23-13(2)18(26-19)14-6-7-16-17(11-14)24(5)20(25)21(16,3)4/h6-11H,1-5H3
InChIKeyDNCNKVFJCLUAMS-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.27
Rot. Bonds2

About 1,3,3-trimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one

1,3,3-trimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one (PubChem CID 118525935) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1,3,3-trimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one.

Molecular Properties

Compound Name1,3,3-trimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one
PubChem CID118525935
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1,3,3-trimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one
SMILESCc1cc(-c2nc(C)c(-c3ccc4c(c3)N(C)C(=O)C4(C)C)o2)ccn1
InChIInChI=1S/C21H21N3O2/c1-12-10-15(8-9-22-12)19-23-13(2)18(26-19)14-6-7-16-17(11-14)24(5)20(25)21(16,3)4/h6-11H,1-5H3
InChIKeyDNCNKVFJCLUAMS-UHFFFAOYSA-N
XLogP4.27
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one?
The IUPAC name of 1,3,3-trimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one (CID 118525935) is 1,3,3-trimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one.
What is the SMILES notation for 1,3,3-trimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one?
The canonical SMILES for 1,3,3-trimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one is Cc1cc(-c2nc(C)c(-c3ccc4c(c3)N(C)C(=O)C4(C)C)o2)ccn1.
What is the InChIKey of 1,3,3-trimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one?
The InChIKey is DNCNKVFJCLUAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-12-10-15(8-9-22-12)19-23-13(2)18(26-19)14-6-7-16-17(11-14)24(5)20(25)21(16,3)4/h6-11H,1-5H3.
What are the key properties of 1,3,3-trimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one?
1,3,3-trimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one has a molecular weight of 347.42 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one is sourced from PubChem (CID 118525935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).