4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-(3-fluoro-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-(3-morpholin-4-yl-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile

C93H97F2N17O12S — CID 159639870

IUPAC4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-(3-fluoro-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-(3-morpholin-4-yl-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile
SMILESC=S(C)(=O)Nc1cc(Nc2ncc(-c3ccc(C#N)cc3)o2)cc(OCCOCCOCCOC)c1.N#Cc1ccc(-c2cnc(Nc3cc(F)cc(N4CCCCC4)c3)o2)cc1.N#Cc1ccc(-c2cnc(Nc3cc(F)cc(OCCN4CCOCC4)c3)o2)cc1.N#Cc1ccc(-c2cnc(Nc3cc(N4CCCCC4)cc(N4CCOCC4)c3)o2)cc1
InChIInChI=1S/C25H27N5O2.C25H30N4O6S.C22H21FN4O3.C21H19FN4O/c26-17-19-4-6-20(7-5-19)24-18-27-25(32-24)28-21-14-22(29-8-2-1-3-9-29)16-23(15-21)30-10-12-31-13-11-30;1-31-8-9-32-10-11-33-12-13-34-23-15-21(14-22(16-23)29-36(2,3)30)28-25-27-18-24(35-25)20-6-4-19(17-26)5-7-20;23-18-11-19(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;22-17-10-18(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/h4-7,14-16,18H,1-3,8-13H2,(H,27,28);4-7,14-16,18H,2,8-13H2,1,3H3,(H,27,28)(H,29,30);1-4,11-13,15H,5-10H2,(H,25,26);4-7,10-12,14H,1-3,8-9H2,(H,24,25)
InChIKeyMQFGNWVTZNKCNZ-UHFFFAOYSA-N
MW1714.97 g/mol
LogP17.37
Rot. Bonds31

About 4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-(3-fluoro-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-(3-morpholin-4-yl-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile

4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-(3-fluoro-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-(3-morpholin-4-yl-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile (PubChem CID 159639870) has the molecular formula C93H97F2N17O12S and a molecular weight of 1714.97 g/mol. Its IUPAC name is 4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-(3-fluoro-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-(3-morpholin-4-yl-5-piperidin-1-ylanilino)-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;4-[2-(3-fluoro-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-(3-morpholin-4-yl-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile
PubChem CID159639870
Molecular FormulaC93H97F2N17O12S
Molecular Weight1714.97 g/mol
Exact Mass1713.72
IUPAC Name4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-(3-fluoro-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-(3-morpholin-4-yl-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile
SMILESC=S(C)(=O)Nc1cc(Nc2ncc(-c3ccc(C#N)cc3)o2)cc(OCCOCCOCCOC)c1.N#Cc1ccc(-c2cnc(Nc3cc(F)cc(N4CCCCC4)c3)o2)cc1.N#Cc1ccc(-c2cnc(Nc3cc(F)cc(OCCN4CCOCC4)c3)o2)cc1.N#Cc1ccc(-c2cnc(Nc3cc(N4CCCCC4)cc(N4CCOCC4)c3)o2)cc1
InChIInChI=1S/C25H27N5O2.C25H30N4O6S.C22H21FN4O3.C21H19FN4O/c26-17-19-4-6-20(7-5-19)24-18-27-25(32-24)28-21-14-22(29-8-2-1-3-9-29)16-23(15-21)30-10-12-31-13-11-30;1-31-8-9-32-10-11-33-12-13-34-23-15-21(14-22(16-23)29-36(2,3)30)28-25-27-18-24(35-25)20-6-4-19(17-26)5-7-20;23-18-11-19(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;22-17-10-18(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/h4-7,14-16,18H,1-3,8-13H2,(H,27,28);4-7,14-16,18H,2,8-13H2,1,3H3,(H,27,28)(H,29,30);1-4,11-13,15H,5-10H2,(H,25,26);4-7,10-12,14H,1-3,8-9H2,(H,24,25)
InChIKeyMQFGNWVTZNKCNZ-UHFFFAOYSA-N
XLogP17.37
TPSA354.07 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds31
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001714.97
LogP ≤ 517.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-(3-fluoro-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-(3-morpholin-4-yl-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile with MolForge

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Launch Full Analysis

Related Compounds

N-[3-[[5-(5-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;N-[3-[[5-(6-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;1-N-(5-isoquinolin-6-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-lambda6-sulfanyl)benzene-1,3-diamine;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-lambda6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile
CID 158547219
4-[2-[3-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-lambda6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile
CID 158195587

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;4-[2-(3-fluoro-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-(3-morpholin-4-yl-5-piperidin-1-ylanilino)-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;4-[2-(3-fluoro-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-(3-morpholin-4-yl-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile (CID 159639870) is 4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-(3-fluoro-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-(3-morpholin-4-yl-5-piperidin-1-ylanilino)-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;4-[2-(3-fluoro-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-(3-morpholin-4-yl-5-piperidin-1-ylanilino)-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;4-[2-(3-fluoro-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-(3-morpholin-4-yl-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile is C=S(C)(=O)Nc1cc(Nc2ncc(-c3ccc(C#N)cc3)o2)cc(OCCOCCOCCOC)c1.N#Cc1ccc(-c2cnc(Nc3cc(F)cc(N4CCCCC4)c3)o2)cc1.N#Cc1ccc(-c2cnc(Nc3cc(F)cc(OCCN4CCOCC4)c3)o2)cc1.N#Cc1ccc(-c2cnc(Nc3cc(N4CCCCC4)cc(N4CCOCC4)c3)o2)cc1.
What is the InChIKey of 4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-(3-fluoro-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-(3-morpholin-4-yl-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile?
The InChIKey is MQFGNWVTZNKCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2.C25H30N4O6S.C22H21FN4O3.C21H19FN4O/c26-17-19-4-6-20(7-5-19)24-18-27-25(32-24)28-21-14-22(29-8-2-1-3-9-29)16-23(15-21)30-10-12-31-13-11-30;1-31-8-9-32-10-11-33-12-13-34-23-15-21(14-22(16-23)29-36(2,3)30)28-25-27-18-24(35-25)20-6-4-19(17-26)5-7-20;23-18-11-19(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;22-17-10-18(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/h4-7,14-16,18H,1-3,8-13H2,(H,27,28);4-7,14-16,18H,2,8-13H2,1,3H3,(H,27,28)(H,29,30);1-4,11-13,15H,5-10H2,(H,25,26);4-7,10-12,14H,1-3,8-9H2,(H,24,25).
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-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-(3-morpholin-4-yl-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile?
4-[2-[3-fluoro-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-(3-fluoro-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-(3-morpholin-4-yl-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile has a molecular weight of 1714.97 g/mol, XLogP of 17.37, 31 rotatable bonds, 5 hydrogen bond donors, and 28 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;4-[2-(3-fluoro-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-(3-morpholin-4-yl-5-piperidin-1-ylanilino)-1,3-oxazol-5-yl]benzonitrile is sourced from PubChem (CID 159639870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).