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

C20H18FN3O2 — CID 118525888

IUPAC6-[2-(5-fluoro-2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]-1,3,3-trimethylindol-2-one
SMILESCc1cc(-c2ncc(-c3ccc4c(c3)N(C)C(=O)C4(C)C)o2)c(F)cn1
InChIInChI=1S/C20H18FN3O2/c1-11-7-13(15(21)9-22-11)18-23-10-17(26-18)12-5-6-14-16(8-12)24(4)19(25)20(14,2)3/h5-10H,1-4H3
InChIKeyBJUWYIIHQOLZSY-UHFFFAOYSA-N
MW351.38 g/mol
LogP4.11
Rot. Bonds2

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

6-[2-(5-fluoro-2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]-1,3,3-trimethylindol-2-one (PubChem CID 118525888) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 6-[2-(5-fluoro-2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]-1,3,3-trimethylindol-2-one.

Molecular Properties

Compound Name6-[2-(5-fluoro-2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]-1,3,3-trimethylindol-2-one
PubChem CID118525888
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name6-[2-(5-fluoro-2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]-1,3,3-trimethylindol-2-one
SMILESCc1cc(-c2ncc(-c3ccc4c(c3)N(C)C(=O)C4(C)C)o2)c(F)cn1
InChIInChI=1S/C20H18FN3O2/c1-11-7-13(15(21)9-22-11)18-23-10-17(26-18)12-5-6-14-16(8-12)24(4)19(25)20(14,2)3/h5-10H,1-4H3
InChIKeyBJUWYIIHQOLZSY-UHFFFAOYSA-N
XLogP4.11
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-fluoro-2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]-1,3,3-trimethylindol-2-one?
The IUPAC name of 6-[2-(5-fluoro-2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]-1,3,3-trimethylindol-2-one (CID 118525888) is 6-[2-(5-fluoro-2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]-1,3,3-trimethylindol-2-one.
What is the SMILES notation for 6-[2-(5-fluoro-2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]-1,3,3-trimethylindol-2-one?
The canonical SMILES for 6-[2-(5-fluoro-2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]-1,3,3-trimethylindol-2-one is Cc1cc(-c2ncc(-c3ccc4c(c3)N(C)C(=O)C4(C)C)o2)c(F)cn1.
What is the InChIKey of 6-[2-(5-fluoro-2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]-1,3,3-trimethylindol-2-one?
The InChIKey is BJUWYIIHQOLZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-11-7-13(15(21)9-22-11)18-23-10-17(26-18)12-5-6-14-16(8-12)24(4)19(25)20(14,2)3/h5-10H,1-4H3.
What are the key properties of 6-[2-(5-fluoro-2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]-1,3,3-trimethylindol-2-one?
6-[2-(5-fluoro-2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]-1,3,3-trimethylindol-2-one has a molecular weight of 351.38 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-fluoro-2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]-1,3,3-trimethylindol-2-one is sourced from PubChem (CID 118525888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).