5-aminopyridine-2-carbonitrile;2-chloro-5-(4-chlorophenyl)-1,3-oxazole;5-(4-chlorophenyl)-1,3-oxazole;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile

C54H37Cl5N14O5 — CID 172941803

IUPAC5-aminopyridine-2-carbonitrile;2-chloro-5-(4-chlorophenyl)-1,3-oxazole;5-(4-chlorophenyl)-1,3-oxazole;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile
SMILESClc1ccc(-c2cnc(Cl)o2)cc1.Clc1ccc(-c2cnco2)cc1.N#Cc1ccc(N)cn1.N#Cc1ccc(Nc2ncc(-c3ccc(Cl)cc3)o2)cn1.N/C(=N\O)c1ccc(Nc2ncc(-c3ccc(Cl)cc3)o2)cn1
InChIInChI=1S/C15H12ClN5O2.C15H9ClN4O.C9H5Cl2NO.C9H6ClNO.C6H5N3/c16-10-3-1-9(2-4-10)13-8-19-15(23-13)20-11-5-6-12(18-7-11)14(17)21-22;16-11-3-1-10(2-4-11)14-9-19-15(21-14)20-13-6-5-12(7-17)18-8-13;10-7-3-1-6(2-4-7)8-5-12-9(11)13-8;10-8-3-1-7(2-4-8)9-5-11-6-12-9;7-3-6-2-1-5(8)4-9-6/h1-8,22H,(H2,17,21)(H,19,20);1-6,8-9H,(H,19,20);1-5H;1-6H;1-2,4H,8H2
InChIKeyGQJOHCPKWXBRIT-UHFFFAOYSA-N
MW1139.25 g/mol
LogP14.41
Rot. Bonds9

About 5-aminopyridine-2-carbonitrile;2-chloro-5-(4-chlorophenyl)-1,3-oxazole;5-(4-chlorophenyl)-1,3-oxazole;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile

5-aminopyridine-2-carbonitrile;2-chloro-5-(4-chlorophenyl)-1,3-oxazole;5-(4-chlorophenyl)-1,3-oxazole;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile (PubChem CID 172941803) has the molecular formula C54H37Cl5N14O5 and a molecular weight of 1139.25 g/mol. Its IUPAC name is 5-aminopyridine-2-carbonitrile;2-chloro-5-(4-chlorophenyl)-1,3-oxazole;5-(4-chlorophenyl)-1,3-oxazole;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-aminopyridine-2-carbonitrile;2-chloro-5-(4-chlorophenyl)-1,3-oxazole;5-(4-chlorophenyl)-1,3-oxazole;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile
PubChem CID172941803
Molecular FormulaC54H37Cl5N14O5
Molecular Weight1139.25 g/mol
Exact Mass1136.15
IUPAC Name5-aminopyridine-2-carbonitrile;2-chloro-5-(4-chlorophenyl)-1,3-oxazole;5-(4-chlorophenyl)-1,3-oxazole;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile
SMILESClc1ccc(-c2cnc(Cl)o2)cc1.Clc1ccc(-c2cnco2)cc1.N#Cc1ccc(N)cn1.N#Cc1ccc(Nc2ncc(-c3ccc(Cl)cc3)o2)cn1.N/C(=N\O)c1ccc(Nc2ncc(-c3ccc(Cl)cc3)o2)cn1
InChIInChI=1S/C15H12ClN5O2.C15H9ClN4O.C9H5Cl2NO.C9H6ClNO.C6H5N3/c16-10-3-1-9(2-4-10)13-8-19-15(23-13)20-11-5-6-12(18-7-11)14(17)21-22;16-11-3-1-10(2-4-11)14-9-19-15(21-14)20-13-6-5-12(7-17)18-8-13;10-7-3-1-6(2-4-7)8-5-12-9(11)13-8;10-8-3-1-7(2-4-8)9-5-11-6-12-9;7-3-6-2-1-5(8)4-9-6/h1-8,22H,(H2,17,21)(H,19,20);1-6,8-9H,(H,19,20);1-5H;1-6H;1-2,4H,8H2
InChIKeyGQJOHCPKWXBRIT-UHFFFAOYSA-N
XLogP14.41
TPSA299.06 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001139.25
LogP ≤ 514.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'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'}

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Related Compounds

2-azido-1-[4-(trifluoromethyl)phenyl]ethanone;N'-hydroxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile
CID 167631503
5-aminopyrazine-2-carbonitrile;2-chloro-5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile
CID 172921116
2-chloro-5-(3,4-difluorophenyl)-1,3-oxazole;6-chloropyridazine-3-carbonitrile;3,4-difluorobenzaldehyde;5-(3,4-difluorophenyl)-1,3-oxazol-2-amine;5-(3,4-difluorophenyl)-1,3-oxazole;6-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide;6-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile
CID 172928120
5-aminopyridine-2-carbonitrile;2-chloro-5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-chloropyridine-2-carbaldehyde;5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]methyl]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]methyl]pyridine-2-carbonitrile;methane
CID 172932856
2-chloro-5-(4-fluorophenyl)-1,3-oxazole;6-chloropyridazine-3-carbonitrile;4-fluorobenzaldehyde;5-(4-fluorophenyl)-1,3-oxazol-2-amine;5-(4-fluorophenyl)-1,3-oxazole;6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide;6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile
CID 172947069
5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-5-(5-methyl-2-pyridinyl)-1,3-oxazole;N'-hydroxy-3-methyl-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;3-methyl-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;5-methylpyridine-2-carbaldehyde;5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-amine;5-(5-methyl-2-pyridinyl)-1,3-oxazole
CID 172963418
5-aminopyrazine-2-carbonitrile;2-chloro-5-(4-chlorophenyl)-1,3-oxazole;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile
CID 172965932
2-bromo-5-(5-methyl-2-pyridinyl)-1,3-oxazole;N'-hydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-(5-methyl-2-pyridinyl)-1,3-oxazole;5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile
CID 172965943

Frequently Asked Questions

What is the IUPAC name of 5-aminopyridine-2-carbonitrile;2-chloro-5-(4-chlorophenyl)-1,3-oxazole;5-(4-chlorophenyl)-1,3-oxazole;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-aminopyridine-2-carbonitrile;2-chloro-5-(4-chlorophenyl)-1,3-oxazole;5-(4-chlorophenyl)-1,3-oxazole;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile (CID 172941803) is 5-aminopyridine-2-carbonitrile;2-chloro-5-(4-chlorophenyl)-1,3-oxazole;5-(4-chlorophenyl)-1,3-oxazole;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-aminopyridine-2-carbonitrile;2-chloro-5-(4-chlorophenyl)-1,3-oxazole;5-(4-chlorophenyl)-1,3-oxazole;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-aminopyridine-2-carbonitrile;2-chloro-5-(4-chlorophenyl)-1,3-oxazole;5-(4-chlorophenyl)-1,3-oxazole;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile is Clc1ccc(-c2cnc(Cl)o2)cc1.Clc1ccc(-c2cnco2)cc1.N#Cc1ccc(N)cn1.N#Cc1ccc(Nc2ncc(-c3ccc(Cl)cc3)o2)cn1.N/C(=N\O)c1ccc(Nc2ncc(-c3ccc(Cl)cc3)o2)cn1.
What is the InChIKey of 5-aminopyridine-2-carbonitrile;2-chloro-5-(4-chlorophenyl)-1,3-oxazole;5-(4-chlorophenyl)-1,3-oxazole;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?
The InChIKey is GQJOHCPKWXBRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O2.C15H9ClN4O.C9H5Cl2NO.C9H6ClNO.C6H5N3/c16-10-3-1-9(2-4-10)13-8-19-15(23-13)20-11-5-6-12(18-7-11)14(17)21-22;16-11-3-1-10(2-4-11)14-9-19-15(21-14)20-13-6-5-12(7-17)18-8-13;10-7-3-1-6(2-4-7)8-5-12-9(11)13-8;10-8-3-1-7(2-4-8)9-5-11-6-12-9;7-3-6-2-1-5(8)4-9-6/h1-8,22H,(H2,17,21)(H,19,20);1-6,8-9H,(H,19,20);1-5H;1-6H;1-2,4H,8H2.
What are the key properties of 5-aminopyridine-2-carbonitrile;2-chloro-5-(4-chlorophenyl)-1,3-oxazole;5-(4-chlorophenyl)-1,3-oxazole;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?
5-aminopyridine-2-carbonitrile;2-chloro-5-(4-chlorophenyl)-1,3-oxazole;5-(4-chlorophenyl)-1,3-oxazole;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile has a molecular weight of 1139.25 g/mol, XLogP of 14.41, 9 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminopyridine-2-carbonitrile;2-chloro-5-(4-chlorophenyl)-1,3-oxazole;5-(4-chlorophenyl)-1,3-oxazole;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 172941803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).