5-[2-(3-fluoro-2,3-dimethylbutyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile

C24H21FN4O — CID 137373537

IUPAC5-[2-(3-fluoro-2,3-dimethylbutyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile
SMILESCC(Cc1ncc(-c2ccc(C#N)nc2-c2ccc3cccnc3c2)o1)C(C)(C)F
InChIInChI=1S/C24H21FN4O/c1-15(24(2,3)25)11-22-28-14-21(30-22)19-9-8-18(13-26)29-23(19)17-7-6-16-5-4-10-27-20(16)12-17/h4-10,12,14-15H,11H2,1-3H3
InChIKeyGUQQPPSEVXCAJK-UHFFFAOYSA-N
MW400.46 g/mol
LogP5.75
Rot. Bonds5

About 5-[2-(3-fluoro-2,3-dimethylbutyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile

5-[2-(3-fluoro-2,3-dimethylbutyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile (PubChem CID 137373537) has the molecular formula C24H21FN4O and a molecular weight of 400.46 g/mol. Its IUPAC name is 5-[2-(3-fluoro-2,3-dimethylbutyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(3-fluoro-2,3-dimethylbutyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile
PubChem CID137373537
Molecular FormulaC24H21FN4O
Molecular Weight400.46 g/mol
Exact Mass400.17
IUPAC Name5-[2-(3-fluoro-2,3-dimethylbutyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile
SMILESCC(Cc1ncc(-c2ccc(C#N)nc2-c2ccc3cccnc3c2)o1)C(C)(C)F
InChIInChI=1S/C24H21FN4O/c1-15(24(2,3)25)11-22-28-14-21(30-22)19-9-8-18(13-26)29-23(19)17-7-6-16-5-4-10-27-20(16)12-17/h4-10,12,14-15H,11H2,1-3H3
InChIKeyGUQQPPSEVXCAJK-UHFFFAOYSA-N
XLogP5.75
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.46
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluoro-2,3-dimethylbutyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile?
The IUPAC name of 5-[2-(3-fluoro-2,3-dimethylbutyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile (CID 137373537) is 5-[2-(3-fluoro-2,3-dimethylbutyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-(3-fluoro-2,3-dimethylbutyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile?
The canonical SMILES for 5-[2-(3-fluoro-2,3-dimethylbutyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile is CC(Cc1ncc(-c2ccc(C#N)nc2-c2ccc3cccnc3c2)o1)C(C)(C)F.
What is the InChIKey of 5-[2-(3-fluoro-2,3-dimethylbutyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile?
The InChIKey is GUQQPPSEVXCAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O/c1-15(24(2,3)25)11-22-28-14-21(30-22)19-9-8-18(13-26)29-23(19)17-7-6-16-5-4-10-27-20(16)12-17/h4-10,12,14-15H,11H2,1-3H3.
What are the key properties of 5-[2-(3-fluoro-2,3-dimethylbutyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile?
5-[2-(3-fluoro-2,3-dimethylbutyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile has a molecular weight of 400.46 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluoro-2,3-dimethylbutyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile is sourced from PubChem (CID 137373537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).