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

C22H17FN4O — CID 137373556

IUPAC5-[2-(2-fluoro-2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile
SMILESCC(C)(F)Cc1ncc(-c2ccc(C#N)nc2-c2ccc3cccnc3c2)o1
InChIInChI=1S/C22H17FN4O/c1-22(2,23)11-20-26-13-19(28-20)17-8-7-16(12-24)27-21(17)15-6-5-14-4-3-9-25-18(14)10-15/h3-10,13H,11H2,1-2H3
InChIKeyMFEUCBJFARTHBC-UHFFFAOYSA-N
MW372.40 g/mol
LogP5.11
Rot. Bonds4

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

5-[2-(2-fluoro-2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile (PubChem CID 137373556) has the molecular formula C22H17FN4O and a molecular weight of 372.40 g/mol. Its IUPAC name is 5-[2-(2-fluoro-2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(2-fluoro-2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile
PubChem CID137373556
Molecular FormulaC22H17FN4O
Molecular Weight372.40 g/mol
Exact Mass372.14
IUPAC Name5-[2-(2-fluoro-2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile
SMILESCC(C)(F)Cc1ncc(-c2ccc(C#N)nc2-c2ccc3cccnc3c2)o1
InChIInChI=1S/C22H17FN4O/c1-22(2,23)11-20-26-13-19(28-20)17-8-7-16(12-24)27-21(17)15-6-5-14-4-3-9-25-18(14)10-15/h3-10,13H,11H2,1-2H3
InChIKeyMFEUCBJFARTHBC-UHFFFAOYSA-N
XLogP5.11
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.40
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluoro-2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile?
The IUPAC name of 5-[2-(2-fluoro-2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile (CID 137373556) is 5-[2-(2-fluoro-2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-(2-fluoro-2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile?
The canonical SMILES for 5-[2-(2-fluoro-2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile is CC(C)(F)Cc1ncc(-c2ccc(C#N)nc2-c2ccc3cccnc3c2)o1.
What is the InChIKey of 5-[2-(2-fluoro-2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile?
The InChIKey is MFEUCBJFARTHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O/c1-22(2,23)11-20-26-13-19(28-20)17-8-7-16(12-24)27-21(17)15-6-5-14-4-3-9-25-18(14)10-15/h3-10,13H,11H2,1-2H3.
What are the key properties of 5-[2-(2-fluoro-2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile?
5-[2-(2-fluoro-2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile has a molecular weight of 372.40 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluoro-2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile is sourced from PubChem (CID 137373556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).