2-bromo-5-fluoropyridine-4-carbonitrile;2-bromo-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbonitrile;N',5-dihydroxy-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;1-ethyl-4-methoxybenzene;N'-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carbonitrile;5-(4-methylphenyl)-1,3-oxazol-2-amine

C103H93Br2FN20O14 — CID 167615386

IUPAC2-bromo-5-fluoropyridine-4-carbonitrile;2-bromo-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbonitrile;N',5-dihydroxy-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;1-ethyl-4-methoxybenzene;N'-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carbonitrile;5-(4-methylphenyl)-1,3-oxazol-2-amine
SMILESCCc1ccc(OC)cc1.COc1ccc(COc2cnc(Br)cc2C#N)cc1.COc1ccc(COc2cnc(Nc3ncc(-c4ccc(C)cc4)o3)cc2C#N)cc1.COc1ccc(COc2cnc(Nc3ncc(-c4ccc(C)cc4)o3)cc2C(N)=NO)cc1.Cc1ccc(-c2cnc(N)o2)cc1.Cc1ccc(-c2cnc(Nc3cc(C(N)=NO)c(O)cn3)o2)cc1.N#Cc1cc(Br)ncc1F
InChIInChI=1S/C24H23N5O4.C24H20N4O3.C16H15N5O3.C14H11BrN2O2.C10H10N2O.C9H12O.C6H2BrFN2/c1-15-3-7-17(8-4-15)20-12-27-24(33-20)28-22-11-19(23(25)29-30)21(13-26-22)32-14-16-5-9-18(31-2)10-6-16;1-16-3-7-18(8-4-16)22-14-27-24(31-22)28-23-11-19(12-25)21(13-26-23)30-15-17-5-9-20(29-2)10-6-17;1-9-2-4-10(5-3-9)13-8-19-16(24-13)20-14-6-11(15(17)21-23)12(22)7-18-14;1-18-12-4-2-10(3-5-12)9-19-13-8-17-14(15)6-11(13)7-16;1-7-2-4-8(5-3-7)9-6-12-10(11)13-9;1-3-8-4-6-9(10-2)7-5-8;7-6-1-4(2-9)5(8)3-10-6/h3-13,30H,14H2,1-2H3,(H2,25,29)(H,26,27,28);3-11,13-14H,15H2,1-2H3,(H,26,27,28);2-8,22-23H,1H3,(H2,17,21)(H,18,19,20);2-6,8H,9H2,1H3;2-6H,1H3,(H2,11,12);4-7H,3H2,1-2H3;1,3H
InChIKeyLQXUWXKQBJHKAU-UHFFFAOYSA-N
MW2013.81 g/mol
LogP21.96
Rot. Bonds26

About 2-bromo-5-fluoropyridine-4-carbonitrile;2-bromo-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbonitrile;N',5-dihydroxy-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;1-ethyl-4-methoxybenzene;N'-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carbonitrile;5-(4-methylphenyl)-1,3-oxazol-2-amine

2-bromo-5-fluoropyridine-4-carbonitrile;2-bromo-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbonitrile;N',5-dihydroxy-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;1-ethyl-4-methoxybenzene;N'-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carbonitrile;5-(4-methylphenyl)-1,3-oxazol-2-amine (PubChem CID 167615386) has the molecular formula C103H93Br2FN20O14 and a molecular weight of 2013.81 g/mol. Its IUPAC name is 2-bromo-5-fluoropyridine-4-carbonitrile;2-bromo-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbonitrile;N',5-dihydroxy-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;1-ethyl-4-methoxybenzene;N'-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carbonitrile;5-(4-methylphenyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name2-bromo-5-fluoropyridine-4-carbonitrile;2-bromo-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbonitrile;N',5-dihydroxy-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;1-ethyl-4-methoxybenzene;N'-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carbonitrile;5-(4-methylphenyl)-1,3-oxazol-2-amine
PubChem CID167615386
Molecular FormulaC103H93Br2FN20O14
Molecular Weight2013.81 g/mol
Exact Mass2010.55
IUPAC Name2-bromo-5-fluoropyridine-4-carbonitrile;2-bromo-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbonitrile;N',5-dihydroxy-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;1-ethyl-4-methoxybenzene;N'-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carbonitrile;5-(4-methylphenyl)-1,3-oxazol-2-amine
SMILESCCc1ccc(OC)cc1.COc1ccc(COc2cnc(Br)cc2C#N)cc1.COc1ccc(COc2cnc(Nc3ncc(-c4ccc(C)cc4)o3)cc2C#N)cc1.COc1ccc(COc2cnc(Nc3ncc(-c4ccc(C)cc4)o3)cc2C(N)=NO)cc1.Cc1ccc(-c2cnc(N)o2)cc1.Cc1ccc(-c2cnc(Nc3cc(C(N)=NO)c(O)cn3)o2)cc1.N#Cc1cc(Br)ncc1F
InChIInChI=1S/C24H23N5O4.C24H20N4O3.C16H15N5O3.C14H11BrN2O2.C10H10N2O.C9H12O.C6H2BrFN2/c1-15-3-7-17(8-4-15)20-12-27-24(33-20)28-22-11-19(23(25)29-30)21(13-26-22)32-14-16-5-9-18(31-2)10-6-16;1-16-3-7-18(8-4-16)22-14-27-24(31-22)28-23-11-19(12-25)21(13-26-23)30-15-17-5-9-20(29-2)10-6-17;1-9-2-4-10(5-3-9)13-8-19-16(24-13)20-14-6-11(15(17)21-23)12(22)7-18-14;1-18-12-4-2-10(3-5-12)9-19-13-8-17-14(15)6-11(13)7-16;1-7-2-4-8(5-3-7)9-6-12-10(11)13-9;1-3-8-4-6-9(10-2)7-5-8;7-6-1-4(2-9)5(8)3-10-6/h3-13,30H,14H2,1-2H3,(H2,25,29)(H,26,27,28);3-11,13-14H,15H2,1-2H3,(H,26,27,28);2-8,22-23H,1H3,(H2,17,21)(H,18,19,20);2-6,8H,9H2,1H3;2-6H,1H3,(H2,11,12);4-7H,3H2,1-2H3;1,3H
InChIKeyLQXUWXKQBJHKAU-UHFFFAOYSA-N
XLogP21.96
TPSA504.11 Ų
H-Bond Donors9
H-Bond Acceptors32
Rotatable Bonds26
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002013.81
LogP ≤ 521.96
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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-bromo-5-fluoropyridine-4-carbonitrile;2-bromo-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbonitrile;N',5-dihydroxy-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;1-ethyl-4-methoxybenzene;N'-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carbonitrile;5-(4-methylphenyl)-1,3-oxazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoropyridine-4-carbonitrile;2-bromo-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbonitrile;N',5-dihydroxy-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;1-ethyl-4-methoxybenzene;N'-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carbonitrile;5-(4-methylphenyl)-1,3-oxazol-2-amine?
The IUPAC name of 2-bromo-5-fluoropyridine-4-carbonitrile;2-bromo-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbonitrile;N',5-dihydroxy-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;1-ethyl-4-methoxybenzene;N'-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carbonitrile;5-(4-methylphenyl)-1,3-oxazol-2-amine (CID 167615386) is 2-bromo-5-fluoropyridine-4-carbonitrile;2-bromo-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbonitrile;N',5-dihydroxy-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;1-ethyl-4-methoxybenzene;N'-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carbonitrile;5-(4-methylphenyl)-1,3-oxazol-2-amine.
What is the SMILES notation for 2-bromo-5-fluoropyridine-4-carbonitrile;2-bromo-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbonitrile;N',5-dihydroxy-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;1-ethyl-4-methoxybenzene;N'-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carbonitrile;5-(4-methylphenyl)-1,3-oxazol-2-amine?
The canonical SMILES for 2-bromo-5-fluoropyridine-4-carbonitrile;2-bromo-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbonitrile;N',5-dihydroxy-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;1-ethyl-4-methoxybenzene;N'-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carbonitrile;5-(4-methylphenyl)-1,3-oxazol-2-amine is CCc1ccc(OC)cc1.COc1ccc(COc2cnc(Br)cc2C#N)cc1.COc1ccc(COc2cnc(Nc3ncc(-c4ccc(C)cc4)o3)cc2C#N)cc1.COc1ccc(COc2cnc(Nc3ncc(-c4ccc(C)cc4)o3)cc2C(N)=NO)cc1.Cc1ccc(-c2cnc(N)o2)cc1.Cc1ccc(-c2cnc(Nc3cc(C(N)=NO)c(O)cn3)o2)cc1.N#Cc1cc(Br)ncc1F.
What is the InChIKey of 2-bromo-5-fluoropyridine-4-carbonitrile;2-bromo-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbonitrile;N',5-dihydroxy-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;1-ethyl-4-methoxybenzene;N'-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carbonitrile;5-(4-methylphenyl)-1,3-oxazol-2-amine?
The InChIKey is LQXUWXKQBJHKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4.C24H20N4O3.C16H15N5O3.C14H11BrN2O2.C10H10N2O.C9H12O.C6H2BrFN2/c1-15-3-7-17(8-4-15)20-12-27-24(33-20)28-22-11-19(23(25)29-30)21(13-26-22)32-14-16-5-9-18(31-2)10-6-16;1-16-3-7-18(8-4-16)22-14-27-24(31-22)28-23-11-19(12-25)21(13-26-23)30-15-17-5-9-20(29-2)10-6-17;1-9-2-4-10(5-3-9)13-8-19-16(24-13)20-14-6-11(15(17)21-23)12(22)7-18-14;1-18-12-4-2-10(3-5-12)9-19-13-8-17-14(15)6-11(13)7-16;1-7-2-4-8(5-3-7)9-6-12-10(11)13-9;1-3-8-4-6-9(10-2)7-5-8;7-6-1-4(2-9)5(8)3-10-6/h3-13,30H,14H2,1-2H3,(H2,25,29)(H,26,27,28);3-11,13-14H,15H2,1-2H3,(H,26,27,28);2-8,22-23H,1H3,(H2,17,21)(H,18,19,20);2-6,8H,9H2,1H3;2-6H,1H3,(H2,11,12);4-7H,3H2,1-2H3;1,3H.
What are the key properties of 2-bromo-5-fluoropyridine-4-carbonitrile;2-bromo-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbonitrile;N',5-dihydroxy-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;1-ethyl-4-methoxybenzene;N'-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carbonitrile;5-(4-methylphenyl)-1,3-oxazol-2-amine?
2-bromo-5-fluoropyridine-4-carbonitrile;2-bromo-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbonitrile;N',5-dihydroxy-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;1-ethyl-4-methoxybenzene;N'-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carbonitrile;5-(4-methylphenyl)-1,3-oxazol-2-amine has a molecular weight of 2013.81 g/mol, XLogP of 21.96, 26 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoropyridine-4-carbonitrile;2-bromo-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbonitrile;N',5-dihydroxy-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;1-ethyl-4-methoxybenzene;N'-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide;5-[(4-methoxyphenyl)methoxy]-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-4-carbonitrile;5-(4-methylphenyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 167615386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).