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

C18H17FN4O2 — CID 172718338

IUPAC6-[2-(1-fluoro-3-methylpyrazol-4-yl)-1,3-oxazol-5-yl]-1,3,3-trimethylindol-2-one
SMILESCc1nn(F)cc1-c1ncc(-c2ccc3c(c2)N(C)C(=O)C3(C)C)o1
InChIInChI=1S/C18H17FN4O2/c1-10-12(9-23(19)21-10)16-20-8-15(25-16)11-5-6-13-14(7-11)22(4)17(24)18(13,2)3/h5-9H,1-4H3
InChIKeyGDXAORSCKBWUOR-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.50
Rot. Bonds2

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

6-[2-(1-fluoro-3-methylpyrazol-4-yl)-1,3-oxazol-5-yl]-1,3,3-trimethylindol-2-one (PubChem CID 172718338) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 6-[2-(1-fluoro-3-methylpyrazol-4-yl)-1,3-oxazol-5-yl]-1,3,3-trimethylindol-2-one.

Molecular Properties

Compound Name6-[2-(1-fluoro-3-methylpyrazol-4-yl)-1,3-oxazol-5-yl]-1,3,3-trimethylindol-2-one
PubChem CID172718338
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name6-[2-(1-fluoro-3-methylpyrazol-4-yl)-1,3-oxazol-5-yl]-1,3,3-trimethylindol-2-one
SMILESCc1nn(F)cc1-c1ncc(-c2ccc3c(c2)N(C)C(=O)C3(C)C)o1
InChIInChI=1S/C18H17FN4O2/c1-10-12(9-23(19)21-10)16-20-8-15(25-16)11-5-6-13-14(7-11)22(4)17(24)18(13,2)3/h5-9H,1-4H3
InChIKeyGDXAORSCKBWUOR-UHFFFAOYSA-N
XLogP3.50
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-fluoro-3-methylpyrazol-4-yl)-1,3-oxazol-5-yl]-1,3,3-trimethylindol-2-one?
The IUPAC name of 6-[2-(1-fluoro-3-methylpyrazol-4-yl)-1,3-oxazol-5-yl]-1,3,3-trimethylindol-2-one (CID 172718338) is 6-[2-(1-fluoro-3-methylpyrazol-4-yl)-1,3-oxazol-5-yl]-1,3,3-trimethylindol-2-one.
What is the SMILES notation for 6-[2-(1-fluoro-3-methylpyrazol-4-yl)-1,3-oxazol-5-yl]-1,3,3-trimethylindol-2-one?
The canonical SMILES for 6-[2-(1-fluoro-3-methylpyrazol-4-yl)-1,3-oxazol-5-yl]-1,3,3-trimethylindol-2-one is Cc1nn(F)cc1-c1ncc(-c2ccc3c(c2)N(C)C(=O)C3(C)C)o1.
What is the InChIKey of 6-[2-(1-fluoro-3-methylpyrazol-4-yl)-1,3-oxazol-5-yl]-1,3,3-trimethylindol-2-one?
The InChIKey is GDXAORSCKBWUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-10-12(9-23(19)21-10)16-20-8-15(25-16)11-5-6-13-14(7-11)22(4)17(24)18(13,2)3/h5-9H,1-4H3.
What are the key properties of 6-[2-(1-fluoro-3-methylpyrazol-4-yl)-1,3-oxazol-5-yl]-1,3,3-trimethylindol-2-one?
6-[2-(1-fluoro-3-methylpyrazol-4-yl)-1,3-oxazol-5-yl]-1,3,3-trimethylindol-2-one has a molecular weight of 340.36 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-fluoro-3-methylpyrazol-4-yl)-1,3-oxazol-5-yl]-1,3,3-trimethylindol-2-one is sourced from PubChem (CID 172718338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).