5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-5-(3-fluoro-4-methylphenyl)-1,3-oxazole;3-fluoro-4-methylbenzaldehyde;5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-amine;5-(3-fluoro-4-methylphenyl)-1,3-oxazole;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N',3-dihydroxypyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxy-3-methylpyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-3-methylpyridine-2-carbonitrile

C95H79BrClF7N20O10 — CID 172965992

IUPAC5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-5-(3-fluoro-4-methylphenyl)-1,3-oxazole;3-fluoro-4-methylbenzaldehyde;5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-amine;5-(3-fluoro-4-methylphenyl)-1,3-oxazole;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N',3-dihydroxypyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxy-3-methylpyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-3-methylpyridine-2-carbonitrile
SMILESCc1cc(Br)cnc1C#N.Cc1ccc(-c2cnc(Cl)o2)cc1F.Cc1ccc(-c2cnc(N)o2)cc1F.Cc1ccc(-c2cnc(Nc3cnc(/C(N)=N/O)c(C)c3)o2)cc1F.Cc1ccc(-c2cnc(Nc3cnc(/C(N)=N/O)c(O)c3)o2)cc1F.Cc1ccc(-c2cnc(Nc3cnc(C#N)c(C)c3)o2)cc1F.Cc1ccc(-c2cnco2)cc1F.Cc1ccc(C=O)cc1F
InChIInChI=1S/C17H16FN5O2.C17H13FN4O.C16H14FN5O3.C10H7ClFNO.C10H9FN2O.C10H8FNO.C8H7FO.C7H5BrN2/c1-9-3-4-11(6-13(9)18)14-8-21-17(25-14)22-12-5-10(2)15(20-7-12)16(19)23-24;1-10-3-4-12(6-14(10)18)16-9-21-17(23-16)22-13-5-11(2)15(7-19)20-8-13;1-8-2-3-9(4-11(8)17)13-7-20-16(25-13)21-10-5-12(23)14(19-6-10)15(18)22-24;1-6-2-3-7(4-8(6)12)9-5-13-10(11)14-9;1-6-2-3-7(4-8(6)11)9-5-13-10(12)14-9;1-7-2-3-8(4-9(7)11)10-5-12-6-13-10;1-6-2-3-7(5-10)4-8(6)9;1-5-2-6(8)4-10-7(5)3-9/h3-8,24H,1-2H3,(H2,19,23)(H,21,22);3-6,8-9H,1-2H3,(H,21,22);2-7,23-24H,1H3,(H2,18,22)(H,20,21);2-5H,1H3;2-5H,1H3,(H2,12,13);2-6H,1H3;2-5H,1H3;2,4H,1H3
InChIKeySYFSOHPENPLNLC-UHFFFAOYSA-N
MW1909.15 g/mol
LogP22.74
Rot. Bonds15

About 5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-5-(3-fluoro-4-methylphenyl)-1,3-oxazole;3-fluoro-4-methylbenzaldehyde;5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-amine;5-(3-fluoro-4-methylphenyl)-1,3-oxazole;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N',3-dihydroxypyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxy-3-methylpyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-3-methylpyridine-2-carbonitrile

5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-5-(3-fluoro-4-methylphenyl)-1,3-oxazole;3-fluoro-4-methylbenzaldehyde;5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-amine;5-(3-fluoro-4-methylphenyl)-1,3-oxazole;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N',3-dihydroxypyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxy-3-methylpyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-3-methylpyridine-2-carbonitrile (PubChem CID 172965992) has the molecular formula C95H79BrClF7N20O10 and a molecular weight of 1909.15 g/mol. Its IUPAC name is 5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-5-(3-fluoro-4-methylphenyl)-1,3-oxazole;3-fluoro-4-methylbenzaldehyde;5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-amine;5-(3-fluoro-4-methylphenyl)-1,3-oxazole;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N',3-dihydroxypyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxy-3-methylpyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-3-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-5-(3-fluoro-4-methylphenyl)-1,3-oxazole;3-fluoro-4-methylbenzaldehyde;5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-amine;5-(3-fluoro-4-methylphenyl)-1,3-oxazole;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N',3-dihydroxypyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxy-3-methylpyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-3-methylpyridine-2-carbonitrile
PubChem CID172965992
Molecular FormulaC95H79BrClF7N20O10
Molecular Weight1909.15 g/mol
Exact Mass1906.50
IUPAC Name5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-5-(3-fluoro-4-methylphenyl)-1,3-oxazole;3-fluoro-4-methylbenzaldehyde;5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-amine;5-(3-fluoro-4-methylphenyl)-1,3-oxazole;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N',3-dihydroxypyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxy-3-methylpyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-3-methylpyridine-2-carbonitrile
SMILESCc1cc(Br)cnc1C#N.Cc1ccc(-c2cnc(Cl)o2)cc1F.Cc1ccc(-c2cnc(N)o2)cc1F.Cc1ccc(-c2cnc(Nc3cnc(/C(N)=N/O)c(C)c3)o2)cc1F.Cc1ccc(-c2cnc(Nc3cnc(/C(N)=N/O)c(O)c3)o2)cc1F.Cc1ccc(-c2cnc(Nc3cnc(C#N)c(C)c3)o2)cc1F.Cc1ccc(-c2cnco2)cc1F.Cc1ccc(C=O)cc1F
InChIInChI=1S/C17H16FN5O2.C17H13FN4O.C16H14FN5O3.C10H7ClFNO.C10H9FN2O.C10H8FNO.C8H7FO.C7H5BrN2/c1-9-3-4-11(6-13(9)18)14-8-21-17(25-14)22-12-5-10(2)15(20-7-12)16(19)23-24;1-10-3-4-12(6-14(10)18)16-9-21-17(23-16)22-13-5-11(2)15(7-19)20-8-13;1-8-2-3-9(4-11(8)17)13-7-20-16(25-13)21-10-5-12(23)14(19-6-10)15(18)22-24;1-6-2-3-7(4-8(6)12)9-5-13-10(11)14-9;1-6-2-3-7(4-8(6)11)9-5-13-10(12)14-9;1-7-2-3-8(4-9(7)11)10-5-12-6-13-10;1-6-2-3-7(5-10)4-8(6)9;1-5-2-6(8)4-10-7(5)3-9/h3-8,24H,1-2H3,(H2,19,23)(H,21,22);3-6,8-9H,1-2H3,(H,21,22);2-7,23-24H,1H3,(H2,18,22)(H,20,21);2-5H,1H3;2-5H,1H3,(H2,12,13);2-6H,1H3;2-5H,1H3;2,4H,1H3
InChIKeySYFSOHPENPLNLC-UHFFFAOYSA-N
XLogP22.74
TPSA471.95 Ų
H-Bond Donors9
H-Bond Acceptors28
Rotatable Bonds15
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001909.15
LogP ≤ 522.74
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-5-(3-fluoro-4-methylphenyl)-1,3-oxazole;3-fluoro-4-methylbenzaldehyde;5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-amine;5-(3-fluoro-4-methylphenyl)-1,3-oxazole;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N',3-dihydroxypyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxy-3-methylpyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-3-methylpyridine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-5-(3-fluoro-4-methylphenyl)-1,3-oxazole;3-fluoro-4-methylbenzaldehyde;5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-amine;5-(3-fluoro-4-methylphenyl)-1,3-oxazole;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N',3-dihydroxypyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxy-3-methylpyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-3-methylpyridine-2-carbonitrile?
The IUPAC name of 5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-5-(3-fluoro-4-methylphenyl)-1,3-oxazole;3-fluoro-4-methylbenzaldehyde;5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-amine;5-(3-fluoro-4-methylphenyl)-1,3-oxazole;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N',3-dihydroxypyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxy-3-methylpyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-3-methylpyridine-2-carbonitrile (CID 172965992) is 5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-5-(3-fluoro-4-methylphenyl)-1,3-oxazole;3-fluoro-4-methylbenzaldehyde;5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-amine;5-(3-fluoro-4-methylphenyl)-1,3-oxazole;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N',3-dihydroxypyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxy-3-methylpyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-3-methylpyridine-2-carbonitrile.
What is the SMILES notation for 5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-5-(3-fluoro-4-methylphenyl)-1,3-oxazole;3-fluoro-4-methylbenzaldehyde;5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-amine;5-(3-fluoro-4-methylphenyl)-1,3-oxazole;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N',3-dihydroxypyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxy-3-methylpyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-3-methylpyridine-2-carbonitrile?
The canonical SMILES for 5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-5-(3-fluoro-4-methylphenyl)-1,3-oxazole;3-fluoro-4-methylbenzaldehyde;5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-amine;5-(3-fluoro-4-methylphenyl)-1,3-oxazole;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N',3-dihydroxypyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxy-3-methylpyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-3-methylpyridine-2-carbonitrile is Cc1cc(Br)cnc1C#N.Cc1ccc(-c2cnc(Cl)o2)cc1F.Cc1ccc(-c2cnc(N)o2)cc1F.Cc1ccc(-c2cnc(Nc3cnc(/C(N)=N/O)c(C)c3)o2)cc1F.Cc1ccc(-c2cnc(Nc3cnc(/C(N)=N/O)c(O)c3)o2)cc1F.Cc1ccc(-c2cnc(Nc3cnc(C#N)c(C)c3)o2)cc1F.Cc1ccc(-c2cnco2)cc1F.Cc1ccc(C=O)cc1F.
What is the InChIKey of 5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-5-(3-fluoro-4-methylphenyl)-1,3-oxazole;3-fluoro-4-methylbenzaldehyde;5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-amine;5-(3-fluoro-4-methylphenyl)-1,3-oxazole;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N',3-dihydroxypyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxy-3-methylpyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-3-methylpyridine-2-carbonitrile?
The InChIKey is SYFSOHPENPLNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2.C17H13FN4O.C16H14FN5O3.C10H7ClFNO.C10H9FN2O.C10H8FNO.C8H7FO.C7H5BrN2/c1-9-3-4-11(6-13(9)18)14-8-21-17(25-14)22-12-5-10(2)15(20-7-12)16(19)23-24;1-10-3-4-12(6-14(10)18)16-9-21-17(23-16)22-13-5-11(2)15(7-19)20-8-13;1-8-2-3-9(4-11(8)17)13-7-20-16(25-13)21-10-5-12(23)14(19-6-10)15(18)22-24;1-6-2-3-7(4-8(6)12)9-5-13-10(11)14-9;1-6-2-3-7(4-8(6)11)9-5-13-10(12)14-9;1-7-2-3-8(4-9(7)11)10-5-12-6-13-10;1-6-2-3-7(5-10)4-8(6)9;1-5-2-6(8)4-10-7(5)3-9/h3-8,24H,1-2H3,(H2,19,23)(H,21,22);3-6,8-9H,1-2H3,(H,21,22);2-7,23-24H,1H3,(H2,18,22)(H,20,21);2-5H,1H3;2-5H,1H3,(H2,12,13);2-6H,1H3;2-5H,1H3;2,4H,1H3.
What are the key properties of 5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-5-(3-fluoro-4-methylphenyl)-1,3-oxazole;3-fluoro-4-methylbenzaldehyde;5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-amine;5-(3-fluoro-4-methylphenyl)-1,3-oxazole;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N',3-dihydroxypyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxy-3-methylpyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-3-methylpyridine-2-carbonitrile?
5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-5-(3-fluoro-4-methylphenyl)-1,3-oxazole;3-fluoro-4-methylbenzaldehyde;5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-amine;5-(3-fluoro-4-methylphenyl)-1,3-oxazole;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N',3-dihydroxypyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxy-3-methylpyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-3-methylpyridine-2-carbonitrile has a molecular weight of 1909.15 g/mol, XLogP of 22.74, 15 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-5-(3-fluoro-4-methylphenyl)-1,3-oxazole;3-fluoro-4-methylbenzaldehyde;5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-amine;5-(3-fluoro-4-methylphenyl)-1,3-oxazole;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N',3-dihydroxypyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxy-3-methylpyridine-2-carboximidamide;5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-3-methylpyridine-2-carbonitrile is sourced from PubChem (CID 172965992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).