4-[2-(3-fluoro-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile

C21H19FN4O — CID 71079396

IUPAC4-[2-(3-fluoro-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc(Nc3cc(F)cc(N4CCCCC4)c3)o2)cc1
InChIInChI=1S/C21H19FN4O/c22-17-10-18(12-19(11-17)26-8-2-1-3-9-26)25-21-24-14-20(27-21)16-6-4-15(13-23)5-7-16/h4-7,10-12,14H,1-3,8-9H2,(H,24,25)
InChIKeyXNXQTTASOYQEPP-UHFFFAOYSA-N
MW362.41 g/mol
LogP5.09
Rot. Bonds4

About 4-[2-(3-fluoro-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile

4-[2-(3-fluoro-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile (PubChem CID 71079396) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 4-[2-(3-fluoro-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-(3-fluoro-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile
PubChem CID71079396
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name4-[2-(3-fluoro-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc(Nc3cc(F)cc(N4CCCCC4)c3)o2)cc1
InChIInChI=1S/C21H19FN4O/c22-17-10-18(12-19(11-17)26-8-2-1-3-9-26)25-21-24-14-20(27-21)16-6-4-15(13-23)5-7-16/h4-7,10-12,14H,1-3,8-9H2,(H,24,25)
InChIKeyXNXQTTASOYQEPP-UHFFFAOYSA-N
XLogP5.09
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.41
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 5329404
CID 5329404
CID 5329843
CID 5329843
CID 5329845
CID 5329845
CID 5329849
CID 5329849
CID 11711943
CID 11711943
CID 11955840
CID 11955840
CID 11964241
CID 11964241
CID 25023328
CID 25023328
CID 44290029
CID 44290029
CID 139434474
CID 139434474
CID 139434477
CID 139434477
CID 139434494
CID 139434494

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluoro-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile?
The IUPAC name of 4-[2-(3-fluoro-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile (CID 71079396) is 4-[2-(3-fluoro-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile.
What is the SMILES notation for 4-[2-(3-fluoro-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile?
The canonical SMILES for 4-[2-(3-fluoro-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile is N#Cc1ccc(-c2cnc(Nc3cc(F)cc(N4CCCCC4)c3)o2)cc1.
What is the InChIKey of 4-[2-(3-fluoro-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile?
The InChIKey is XNXQTTASOYQEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c22-17-10-18(12-19(11-17)26-8-2-1-3-9-26)25-21-24-14-20(27-21)16-6-4-15(13-23)5-7-16/h4-7,10-12,14H,1-3,8-9H2,(H,24,25).
What are the key properties of 4-[2-(3-fluoro-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile?
4-[2-(3-fluoro-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile has a molecular weight of 362.41 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluoro-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile is sourced from PubChem (CID 71079396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).