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

C67H38Cl2F12N18O7 — CID 172928120

IUPAC2-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
SMILESFc1ccc(-c2cnc(Cl)o2)cc1F.Fc1ccc(-c2cnco2)cc1F.N#Cc1ccc(Cl)nn1.N#Cc1ccc(Nc2ncc(-c3ccc(F)c(F)c3)o2)nn1.N/C(=N\O)c1ccc(Nc2ncc(-c3ccc(F)c(F)c3)o2)nn1.Nc1ncc(-c2ccc(F)c(F)c2)o1.O=Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H10F2N6O2.C14H7F2N5O.C9H4ClF2NO.C9H6F2N2O.C9H5F2NO.C7H4F2O.C5H2ClN3/c15-8-2-1-7(5-9(8)16)11-6-18-14(24-11)19-12-4-3-10(20-21-12)13(17)22-23;15-10-3-1-8(5-11(10)16)12-7-18-14(22-12)19-13-4-2-9(6-17)20-21-13;10-9-13-4-8(14-9)5-1-2-6(11)7(12)3-5;10-6-2-1-5(3-7(6)11)8-4-13-9(12)14-8;10-7-2-1-6(3-8(7)11)9-4-12-5-13-9;8-6-2-1-5(4-10)3-7(6)9;6-5-2-1-4(3-7)8-9-5/h1-6,23H,(H2,17,22)(H,18,19,21);1-5,7H,(H,18,19,21);1-4H;1-4H,(H2,12,13);1-5H;1-4H;1-2H
InChIKeyNYBVPQHRMVINNQ-UHFFFAOYSA-N
MW1506.04 g/mol
LogP16.15
Rot. Bonds11

About 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

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 (PubChem CID 172928120) has the molecular formula C67H38Cl2F12N18O7 and a molecular weight of 1506.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID172928120
Molecular FormulaC67H38Cl2F12N18O7
Molecular Weight1506.04 g/mol
Exact Mass1504.24
IUPAC Name2-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
SMILESFc1ccc(-c2cnc(Cl)o2)cc1F.Fc1ccc(-c2cnco2)cc1F.N#Cc1ccc(Cl)nn1.N#Cc1ccc(Nc2ncc(-c3ccc(F)c(F)c3)o2)nn1.N/C(=N\O)c1ccc(Nc2ncc(-c3ccc(F)c(F)c3)o2)nn1.Nc1ncc(-c2ccc(F)c(F)c2)o1.O=Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H10F2N6O2.C14H7F2N5O.C9H4ClF2NO.C9H6F2N2O.C9H5F2NO.C7H4F2O.C5H2ClN3/c15-8-2-1-7(5-9(8)16)11-6-18-14(24-11)19-12-4-3-10(20-21-12)13(17)22-23;15-10-3-1-8(5-11(10)16)12-7-18-14(22-12)19-13-4-2-9(6-17)20-21-13;10-9-13-4-8(14-9)5-1-2-6(11)7(12)3-5;10-6-2-1-5(3-7(6)11)8-4-13-9(12)14-8;10-7-2-1-6(3-8(7)11)9-4-12-5-13-9;8-6-2-1-5(4-10)3-7(6)9;6-5-2-1-4(3-7)8-9-5/h1-6,23H,(H2,17,22)(H,18,19,21);1-5,7H,(H,18,19,21);1-4H;1-4H,(H2,12,13);1-5H;1-4H;1-2H
InChIKeyNYBVPQHRMVINNQ-UHFFFAOYSA-N
XLogP16.15
TPSA380.83 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds11
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001506.04
LogP ≤ 516.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

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 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 with MolForge

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Related Compounds

6-chloropyridazine-3-carboxylic acid;1-(6-chloropyridazin-3-yl)ethanone;N-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;N-phenylmethoxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxylic acid;1-[6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazin-3-yl]ethanone
CID 167663836
6-chloropyridazine-3-carbonitrile;N'-hydroxy-6-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;6-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile
CID 172921121
2-chloro-5-(5-fluoro-2-pyridinyl)-1,3-oxazole;6-chloropyridazine-3-carbonitrile;5-fluoropyridine-2-carbaldehyde;5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-amine;5-(5-fluoro-2-pyridinyl)-1,3-oxazole;6-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide;6-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile
CID 172932854
N'-hydroxy-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide;5-(4-methylphenyl)-1,3-oxazol-2-amine;6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile
CID 172941448
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
6-chloro-4-[(4-methoxyphenyl)methoxy]pyridazine-3-carbonitrile;4,6-dichloropyridazine-3-carbonitrile;N'-hydroxy-4-[(4-methoxyphenyl)methoxy]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide;N'-hydroxy-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-4-oxo-1H-pyridazine-3-carboximidamide;4-[(4-methoxyphenyl)methoxy]-6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile;5-(4-methylphenyl)-1,3-oxazol-2-amine
CID 172947016
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Fc1ccc(-c2cnc(Cl)o2)cc1F.Fc1ccc(-c2cnco2)cc1F.N#Cc1ccc(Cl)nn1.N#Cc1ccc(Nc2ncc(-c3ccc(F)c(F)c3)o2)nn1.N/C(=N\O)c1ccc(Nc2ncc(-c3ccc(F)c(F)c3)o2)nn1.Nc1ncc(-c2ccc(F)c(F)c2)o1.O=Cc1ccc(F)c(F)c1.
What is the InChIKey of 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?
The InChIKey is NYBVPQHRMVINNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N6O2.C14H7F2N5O.C9H4ClF2NO.C9H6F2N2O.C9H5F2NO.C7H4F2O.C5H2ClN3/c15-8-2-1-7(5-9(8)16)11-6-18-14(24-11)19-12-4-3-10(20-21-12)13(17)22-23;15-10-3-1-8(5-11(10)16)12-7-18-14(22-12)19-13-4-2-9(6-17)20-21-13;10-9-13-4-8(14-9)5-1-2-6(11)7(12)3-5;10-6-2-1-5(3-7(6)11)8-4-13-9(12)14-8;10-7-2-1-6(3-8(7)11)9-4-12-5-13-9;8-6-2-1-5(4-10)3-7(6)9;6-5-2-1-4(3-7)8-9-5/h1-6,23H,(H2,17,22)(H,18,19,21);1-5,7H,(H,18,19,21);1-4H;1-4H,(H2,12,13);1-5H;1-4H;1-2H.
What are the key properties of 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?
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 has a molecular weight of 1506.04 g/mol, XLogP of 16.15, 11 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 172928120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).