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

C23H17FN4O — CID 137373536

IUPAC5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2cnc(CC(F)C3CC3)o2)c(-c2ccc3cccnc3c2)n1
InChIInChI=1S/C23H17FN4O/c24-19(14-3-4-14)11-22-27-13-21(29-22)18-8-7-17(12-25)28-23(18)16-6-5-15-2-1-9-26-20(15)10-16/h1-2,5-10,13-14,19H,3-4,11H2
InChIKeyLJBAAQCBSOIPRM-UHFFFAOYSA-N
MW384.41 g/mol
LogP5.11
Rot. Bonds5

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

5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile (PubChem CID 137373536) has the molecular formula C23H17FN4O and a molecular weight of 384.41 g/mol. Its IUPAC name is 5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile
PubChem CID137373536
Molecular FormulaC23H17FN4O
Molecular Weight384.41 g/mol
Exact Mass384.14
IUPAC Name5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2cnc(CC(F)C3CC3)o2)c(-c2ccc3cccnc3c2)n1
InChIInChI=1S/C23H17FN4O/c24-19(14-3-4-14)11-22-27-13-21(29-22)18-8-7-17(12-25)28-23(18)16-6-5-15-2-1-9-26-20(15)10-16/h1-2,5-10,13-14,19H,3-4,11H2
InChIKeyLJBAAQCBSOIPRM-UHFFFAOYSA-N
XLogP5.11
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.41
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-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile?
The IUPAC name of 5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile (CID 137373536) is 5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile?
The canonical SMILES for 5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile is N#Cc1ccc(-c2cnc(CC(F)C3CC3)o2)c(-c2ccc3cccnc3c2)n1.
What is the InChIKey of 5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile?
The InChIKey is LJBAAQCBSOIPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O/c24-19(14-3-4-14)11-22-27-13-21(29-22)18-8-7-17(12-25)28-23(18)16-6-5-15-2-1-9-26-20(15)10-16/h1-2,5-10,13-14,19H,3-4,11H2.
What are the key properties of 5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile?
5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile has a molecular weight of 384.41 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile is sourced from PubChem (CID 137373536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).