4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile

C22H21FN4O3 — CID 71079370

IUPAC4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc(Nc3cc(F)cc(OCCN4CCOCC4)c3)o2)cc1
InChIInChI=1S/C22H21FN4O3/c23-18-11-19(13-20(12-18)29-10-7-27-5-8-28-9-6-27)26-22-25-15-21(30-22)17-3-1-16(14-24)2-4-17/h1-4,11-13,15H,5-10H2,(H,25,26)
InChIKeyZMGKHNWJOQYVMP-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.81
Rot. Bonds7

About 4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile

4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile (PubChem CID 71079370) has the molecular formula C22H21FN4O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is 4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile
PubChem CID71079370
Molecular FormulaC22H21FN4O3
Molecular Weight408.43 g/mol
Exact Mass408.16
IUPAC Name4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc(Nc3cc(F)cc(OCCN4CCOCC4)c3)o2)cc1
InChIInChI=1S/C22H21FN4O3/c23-18-11-19(13-20(12-18)29-10-7-27-5-8-28-9-6-27)26-22-25-15-21(30-22)17-3-1-16(14-24)2-4-17/h1-4,11-13,15H,5-10H2,(H,25,26)
InChIKeyZMGKHNWJOQYVMP-UHFFFAOYSA-N
XLogP3.81
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile?
The IUPAC name of 4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile (CID 71079370) is 4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile.
What is the SMILES notation for 4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile?
The canonical SMILES for 4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile is N#Cc1ccc(-c2cnc(Nc3cc(F)cc(OCCN4CCOCC4)c3)o2)cc1.
What is the InChIKey of 4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile?
The InChIKey is ZMGKHNWJOQYVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3/c23-18-11-19(13-20(12-18)29-10-7-27-5-8-28-9-6-27)26-22-25-15-21(30-22)17-3-1-16(14-24)2-4-17/h1-4,11-13,15H,5-10H2,(H,25,26).
What are the key properties of 4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile?
4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile has a molecular weight of 408.43 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile is sourced from PubChem (CID 71079370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).